Geometry & MOs

Info

ID:	243046
PubChem CID:	99215258
Reduced:	ClSN2O2H19C22 (1)
Stoich.:	ABC2D2E19F22 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-8.14
Dipole, Da:	4.86
IP(EA), eV:	-8.86(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]indazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)/C=C\C(=O)N[C@@H](C2=CC=C(C=C2)Cl)C3=CSC=C3

DOS

IR

Vibrations