Geometry & MOs

Info

ID:	281514
PubChem CID:	103913979
Reduced:	SN3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	4.71
Dipole, Da:	2.39
IP(EA), eV:	-8.6(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC=CN1C)NC2CCCC(C2)SC

DOS

IR

Vibrations