Geometry & MOs

Info

ID:	346403
PubChem CID:	127270907
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	-29.77
Dipole, Da:	5.89
IP(EA), eV:	-8.64(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-methyl-4-(5-methyl-1H-indazole-7-carbonyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OC2CCN(CC2)C(=O)C3=CC(=CC4=C3NN=C4)C)C

DOS

IR

Vibrations