Geometry & MOs

Info

ID:	327865
PubChem CID:	126691181
Reduced:	O3N5C26H29 (1)
Stoich.:	A3B5C26D29 (1)
Weight, g/mol:	384.169859
ΔH_f, kcal/mol:	-14.92
Dipole, Da:	8.14
IP(EA), eV:	-9.17(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4R)-2-methyloxan-4-yl]-2-(pyrimidin-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

CC#CC(=O)NC1CCC(CC1)N=C(/C(=C(/C2=CC=C(C=C2)OC3=CC=CC=C3)\N)/C(=O)N)N

DOS

IR

Vibrations