Geometry & MOs

Info

ID:	252882
PubChem CID:	103114764
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	270.07712
ΔH_f, kcal/mol:	-70.9
Dipole, Da:	4.53
IP(EA), eV:	-9.57(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(2-methyl-3-nitrophenyl)methyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C(C)C(C)O)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations