Geometry & MOs

Info

ID:	446833
PubChem CID:	135278074
Reduced:	N2C41H62 (1)
Stoich.:	A2B41C62 (1)
Weight, g/mol:	267.1987
ΔH_f, kcal/mol:	138.31
Dipole, Da:	5.48
IP(EA), eV:	-8.62(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[5-(2-methylpropyl)cyclohepta-1,4,6-trien-1-yl]aniline

Drug info:

PubChemData

Smile

CCC/C(=C/C/C(=C\C=C)/C/C/1=C/CC=C(C/C=C1)CC(C)(CC)CC)/CC=N/C=C/C=C(/CNCCCC(=C)C)\C=C

DOS

IR

Vibrations