Geometry & MOs

Info

ID:	171430
PubChem CID:	75376731
Reduced:	N3O4H13C15 (1)
Stoich.:	A3B4C13D15 (1)
Weight, g/mol:	315.133139
ΔH_f, kcal/mol:	-88.36
Dipole, Da:	4.67
IP(EA), eV:	-9.82(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-3-nitrobenzoyl)-1-cyclopropylpiperazine-2-carbonitrile

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)OCCC3=CNN=C3

DOS

IR

Vibrations