Geometry & MOs

Info

ID:	152013
PubChem CID:	56310857
Reduced:	N3O3C26H35 (1)
Stoich.:	A3B3C26D35 (1)
Weight, g/mol:	415.166269
ΔH_f, kcal/mol:	-113.46
Dipole, Da:	5.28
IP(EA), eV:	-8.7(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-chloroanilino)-2-oxoethyl]-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=C(C=CC=C3C(C)C)C

DOS

IR

Vibrations