Geometry & MOs

Info

ID:	346406
PubChem CID:	127270910
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	392.184841
ΔH_f, kcal/mol:	-50.19
Dipole, Da:	8.11
IP(EA), eV:	-8.92(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxy-4-methylphenyl)-[4-(5-methyl-1H-indazole-7-carbonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCCC(C3)NC(=O)C)NN=C2

DOS

IR

Vibrations