Geometry & MOs

Info

ID:	44022
PubChem CID:	10322929
Reduced:	INO3C22H28 (1)
Stoich.:	ABC3D22E28 (1)
Weight, g/mol:	481.222623
ΔH_f, kcal/mol:	-91.83
Dipole, Da:	12.48
IP(EA), eV:	-7.49(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(4-amino-2-methylquinolin-6-yl)carbamoyl]phenyl]methyl]-6-pyrrolidin-1-ylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OC3CC[N+](CC3)(C)C)O.[I-]

DOS

IR

Vibrations