Geometry & MOs

Info

ID:	152226
PubChem CID:	56311109
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-109.44
Dipole, Da:	5.64
IP(EA), eV:	-8.69(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[methyl(1-phenylethyl)amino]-2-oxoethyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)CN2CC(OC3=CC=CC=C32)C(=O)NC(CC)CC)C

DOS

IR

Vibrations