Geometry & MOs

Info

ID:	200053
PubChem CID:	79338978
Reduced:	ClN3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	254.178299
ΔH_f, kcal/mol:	36.9
Dipole, Da:	6.39
IP(EA), eV:	-8.56(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-methyl-2-(quinolin-8-ylmethylidene)butan-1-amine

Drug info:

PubChemData

Smile

CCNCC(=CC1=C(N=C2N1C=CC=C2)Cl)C(C)C

DOS

IR

Vibrations