Geometry & MOs

Info

ID:	152701
PubChem CID:	56311741
Reduced:	O2N3C22H27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	-28.01
Dipole, Da:	3.58
IP(EA), eV:	-8.82(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-nitrophenyl)ethyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2CC2)CC(=O)NC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations