Geometry & MOs

Info

ID:	435506
PubChem CID:	135191659
Reduced:	N2O3C31H34 (1)
Stoich.:	A2B3C31D34 (1)
Weight, g/mol:	311.1674
ΔH_f, kcal/mol:	-52.7
Dipole, Da:	4.69
IP(EA), eV:	-8.02(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(4-phenylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine

Drug info:

PubChemData

Smile

CC1CC(=CC=C1/C=C/2\C(N(C(=O)O2)CCC3=CCCCC3)O)N(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations