Geometry & MOs

Info

ID:	346380
PubChem CID:	127270884
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	-56.24
Dipole, Da:	2.71
IP(EA), eV:	-9.01(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)C(=O)N3CCN(CC3)C(=O)CCC4CCCC4)NN=C2

DOS

IR

Vibrations