Geometry & MOs

Info

ID:	199097
PubChem CID:	79196702
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	265.142641
ΔH_f, kcal/mol:	27.67
Dipole, Da:	5.41
IP(EA), eV:	-9.01(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(methylamino)-N-[1-(3-nitrophenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC(CNC)C(=O)NC1=CC=C(C=C1)N2C=NC=N2

DOS

IR

Vibrations