Geometry & MOs

Info

ID:	173139
PubChem CID:	75603856
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	407.246044
ΔH_f, kcal/mol:	-32.38
Dipole, Da:	8.36
IP(EA), eV:	-8.8(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxyphenyl)-N-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C(=C1C3=CC=CC=C3)N4CCC(C4)N(C)C)OC(=N2)NCCCC(=O)O)C#N

DOS

IR

Vibrations