Geometry & MOs

Info

ID:	150019
PubChem CID:	53789704
Reduced:	N6O7C30H40 (1)
Stoich.:	A6B7C30D40 (1)
Weight, g/mol:	408.241293
ΔH_f, kcal/mol:	-156.04
Dipole, Da:	2.17
IP(EA), eV:	-9.32(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-anilino-2-cyclohexylanilino)-2-hydroxypropyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)N1C(CC(CC1(C)C)N2C(=C=O)C23C(=O)N4C(=C=O)N(N(C3=O)C4=O)C5CC(N(C(C5)(C)C)C(=O)C)(C)C)(C)C

DOS

IR

Vibrations