Geometry & MOs

Info

ID:	325777
PubChem CID:	126684900
Reduced:	O6N8C53H66 (1)
Stoich.:	A6B8C53D66 (1)
Weight, g/mol:	219.1987
ΔH_f, kcal/mol:	-194.29
Dipole, Da:	5.92
IP(EA), eV:	-8.56(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,6-trimethyl-4,5-di(propan-2-yl)aniline

Drug info:

Smile

C[C@@H]1CC2=C(C=C(CCC3=C(C=C1C=C3)C4=CC5=C(C=C4)N=C(N5)[C@@H]6C[C@@H]7CCCC[C@@H]7N6C(=O)[C@H](C(C)C)NC(=O)OC)C=C2)C8=CN=C(N8)[C@@H]9CCCN9C(=O)[C@H](C(C)C)NC(=O)OC

DOS

IR

Vibrations