Geometry & MOs

Info

ID:	419696
PubChem CID:	135108711
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	358.142976
ΔH_f, kcal/mol:	31.72
Dipole, Da:	4.02
IP(EA), eV:	-8.7(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyano-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=CC(=N1)N2CCCC(C2)C3=NC(=NO3)CC(C)C

DOS

IR

Vibrations