Geometry & MOs

Info

ID:	130932
PubChem CID:	51130921
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-64.5
Dipole, Da:	5.13
IP(EA), eV:	-9.09(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)N2CCCC2)CC(=O)N3CCCC3CCC4=CC=CC=C4

DOS

IR

Vibrations