Geometry & MOs

Info

ID:	123743
PubChem CID:	50860626
Reduced:	ClN2C23H29 (1)
Stoich.:	AB2C23D29 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	8.7
Dipole, Da:	5.19
IP(EA), eV:	-7.78(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(1-ethyl-2,2,4,7-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-3-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)C)C=NC3=CC(=C(C=C3)C)Cl)C(CC1(C)C)C

DOS

IR

Vibrations