Geometry & MOs

Info

ID:	252870
PubChem CID:	103114714
Reduced:	N3O3C14H15 (1)
Stoich.:	A3B3C14D15 (1)
Weight, g/mol:	266.126657
ΔH_f, kcal/mol:	2.03
Dipole, Da:	5.07
IP(EA), eV:	-9.45(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-methyl-3-nitrophenyl)methylamino]butanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCC2=NC=C(C=C2)O

DOS

IR

Vibrations