Geometry & MOs

Info

ID:	70709
PubChem CID:	48413756
Reduced:	OSN6H16C18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	303.133139
ΔH_f, kcal/mol:	107.73
Dipole, Da:	7.77
IP(EA), eV:	-9.52(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-(2-nitroanilino)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC=C4

DOS

IR

Vibrations