Geometry & MOs

Info

ID:	162760
PubChem CID:	57566882
Reduced:	N2O3C23H24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	408.098918
ΔH_f, kcal/mol:	-39.76
Dipole, Da:	1.37
IP(EA), eV:	-8.51(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4R)-4-(4-chloro-3-pyrimidin-5-yloxyphenyl)-2-oxopyrrolidin-1-yl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]2CC(=O)N(C2)C3=CC=CC(=C3)[N+]#[C-])OC4CCCC4

DOS

IR

Vibrations