Geometry & MOs

Info

ID:	40319
PubChem CID:	8143926
Reduced:	ON2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	405.216475
ΔH_f, kcal/mol:	-33.16
Dipole, Da:	2.33
IP(EA), eV:	-8.79(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzhydryl-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CCC[C@H]1C(=O)N(C(=O)N1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations