Geometry & MOs

Info

ID:	126196
PubChem CID:	50955229
Reduced:	NO3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	370.167273
ΔH_f, kcal/mol:	-99.43
Dipole, Da:	4.54
IP(EA), eV:	-9.39(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(6-chloropyridazin-3-yl)piperazin-1-yl]methyl]-1-propan-2-ylbenzimidazole

Drug info:

PubChemData

Smile

CCN(C1CCOC(C1)(C)C)C(=O)C2=CC=CC(=C2)C#CC(C)(C)O

DOS

IR

Vibrations