Geometry & MOs

Info

ID:	268397
PubChem CID:	103599244
Reduced:	O2N7H23C24 (1)
Stoich.:	A2B7C23D24 (1)
Weight, g/mol:	447.121051
ΔH_f, kcal/mol:	96.04
Dipole, Da:	2.58
IP(EA), eV:	-8.93(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]prop-2-enoyl]-2H-triazole-4-carbohydrazide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)NNC(=O)C3=NNN=C3)CC4=CC=CC=C4

DOS

IR

Vibrations