Geometry & MOs

Info

ID:	152705
PubChem CID:	56311745
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	430.258006
ΔH_f, kcal/mol:	-143.13
Dipole, Da:	5.46
IP(EA), eV:	-8.89(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(1-acetylpiperidin-4-yl)amino]-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)CCC(=O)NC3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations