Geometry & MOs

Info

ID:	152704
PubChem CID:	56311744
Reduced:	ClN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	437.231456
ΔH_f, kcal/mol:	-105.72
Dipole, Da:	2.3
IP(EA), eV:	-8.48(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-acetylanilino)-3-oxopropyl]-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)CCC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations