Geometry & MOs

Info

ID:	139958
PubChem CID:	52621400
Reduced:	N2O2C19H28 (1)
Stoich.:	A2B2C19D28 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-85.53
Dipole, Da:	6.12
IP(EA), eV:	-8.12(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C)N(C1CCCCC1)C(=O)CN2CCOC3=CC=CC=C32

DOS

IR

Vibrations