Geometry & MOs

Info

ID:	152435
PubChem CID:	56311362
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	440.161518
ΔH_f, kcal/mol:	-61.38
Dipole, Da:	2.08
IP(EA), eV:	-8.35(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(7-chloro-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=C(OC(=N3)C4=CC=CC=C4)C

DOS

IR

Vibrations