Geometry & MOs

Info

ID:	414265
PubChem CID:	135087221
Reduced:	N5C23H25 (1)
Stoich.:	A5B23C25 (1)
Weight, g/mol:	396.12407
ΔH_f, kcal/mol:	84.98
Dipole, Da:	4.74
IP(EA), eV:	-8.68(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-methoxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1N2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5)C

DOS

IR

Vibrations