Geometry & MOs

Info

ID:	145957
PubChem CID:	53618255
Reduced:	N3O5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	439.200825
ΔH_f, kcal/mol:	-115.01
Dipole, Da:	7.9
IP(EA), eV:	-8.41(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(1H-indazole-3-carbonyl)piperazin-1-yl]methyl]-N-phenylbenzamide

Drug info:

PubChemData

Smile

COCCN1C2=C(C=CC(=C2)NC(=O)C3=CC(=C(C=C3OC)OC)OC)C=N1

DOS

IR

Vibrations