Geometry & MOs

Info

ID:	151791
PubChem CID:	56310593
Reduced:	O3N5C22H31 (1)
Stoich.:	A3B5C22D31 (1)
Weight, g/mol:	413.195071
ΔH_f, kcal/mol:	-80.99
Dipole, Da:	3.71
IP(EA), eV:	-8.67(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(2-nitrophenoxy)ethyl]-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)NCCCN3C=CC=N3

DOS

IR

Vibrations