Geometry & MOs

Info

ID:	325586
PubChem CID:	126684093
Reduced:	N4O15C46H76 (1)
Stoich.:	A4B15C46D76 (1)
Weight, g/mol:	275.2613
ΔH_f, kcal/mol:	-510.64
Dipole, Da:	6.07
IP(EA), eV:	-7.39(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-tert-butyl-2,5-dimethylphenyl)-N,2,2-trimethylbutan-1-amine

Drug info:

Smile

CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2C(C([C@@H]([C@H](O2)C)O)N(C)C)O)CCN3C=C(N=N3)C(=O)OCC)C)\C)CCO[C@H]4C([C@H]([C@@H](C(O4)C)O)COC)OC

DOS

IR

Vibrations