Geometry & MOs

Info

ID:	184460
PubChem CID:	77162281
Reduced:	ClNO3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	431.253255
ΔH_f, kcal/mol:	-123.95
Dipole, Da:	3.67
IP(EA), eV:	-8.92(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)-N-[2-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(=C)CC1C(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations