Geometry & MOs

Info

ID:	362373
PubChem CID:	127307464
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	337.19026
ΔH_f, kcal/mol:	-23.57
Dipole, Da:	7.51
IP(EA), eV:	-8.74(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2C1NC(=O)N(C)CC3=NC(=O)C4=C(N3)C=CS4

DOS

IR

Vibrations