Geometry & MOs

Info

ID:	336538
PubChem CID:	127255545
Reduced:	N3O3C14H27 (1)
Stoich.:	A3B3C14D27 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-176.77
Dipole, Da:	5.9
IP(EA), eV:	-9.48(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(1-tert-butylimidazol-4-yl)methylamino]phenyl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[C@@H]1N)C(=O)N(C)C

DOS

IR

Vibrations