Geometry & MOs

Info

ID:	70992
PubChem CID:	48414152
Reduced:	FO2N4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	315.133139
ΔH_f, kcal/mol:	-86.8
Dipole, Da:	2.87
IP(EA), eV:	-9.46(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropylamino)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations