Geometry & MOs

Info

ID:	252151
PubChem CID:	103109440
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	279.121906
ΔH_f, kcal/mol:	-49.09
Dipole, Da:	5.47
IP(EA), eV:	-9.6(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-3-nitrophenyl)methyl]morpholine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1(CCNC1)C(=O)NCC2=C(C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations