Geometry & MOs

Info

ID:	151907
PubChem CID:	56310732
Reduced:	ClN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-99.56
Dipole, Da:	4.11
IP(EA), eV:	-8.79(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations