Geometry & MOs

Info

ID:	327876
PubChem CID:	126691204
Reduced:	O2N5H21C25 (1)
Stoich.:	A2B5C21D25 (1)
Weight, g/mol:	423.169525
ΔH_f, kcal/mol:	83.56
Dipole, Da:	4.75
IP(EA), eV:	-9.43(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-benzoxazol-3-ylmethyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=NOC6=CC=CC=C65

DOS

IR

Vibrations