Geometry & MOs

Info

ID:	159336
PubChem CID:	57269586
Reduced:	NO4C11H20 (1)
Stoich.:	AB4C11D20 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	-179.93
Dipole, Da:	2.68
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762762
Charge, e:	0

Chem-info

IUPAC name:

N-[amino-[[7-(pentylamino)-2-phenylquinolin-4-yl]amino]methylidene]formamide

Drug info:

PubChemData

Smile

CC(=O)OCC[N+]1(CCCCC1)OC(=O)C

DOS

IR

Vibrations