Geometry & MOs

Info

ID:	327873
PubChem CID:	126691190
Reduced:	N3C25H41 (1)
Stoich.:	A3B25C41 (1)
Weight, g/mol:	413.185175
ΔH_f, kcal/mol:	-19.2
Dipole, Da:	1.72
IP(EA), eV:	-8.03(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-cyclopropyl-1,3-oxazol-4-yl)methyl]-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)N1CCCC1C2=CN=C(C=C2)CC(C)(C)N3CC4CCC(C3)CC4

DOS

IR

Vibrations