Geometry & MOs

Info

ID:	152444
PubChem CID:	56311371
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	420.216141
ΔH_f, kcal/mol:	-50.96
Dipole, Da:	3.0
IP(EA), eV:	-8.43(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(9-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)CC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations