Geometry & MOs

Info

ID:	418050
PubChem CID:	135103436
Reduced:	O5N7C32H37 (1)
Stoich.:	A5B7C32D37 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-104.89
Dipole, Da:	8.45
IP(EA), eV:	-8.32(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-hydroxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(N=C(N1)C2=CC=CC=C2)C(=O)N3CCOC4=C(C=CC(=C4)C5=NC=CN5CCNC(=O)[C@H](NC(=O)C3)C(C)C)OC

DOS

IR

Vibrations