Geometry & MOs

Info

ID:	252122
PubChem CID:	103109276
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-84.32
Dipole, Da:	4.45
IP(EA), eV:	-10.01(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(2-methyl-3-nitrophenyl)methyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)C(CCCOC)N

DOS

IR

Vibrations