Geometry & MOs

Info

ID:	313651
PubChem CID:	126616800
Reduced:	O2N3C23H37 (1)
Stoich.:	A2B3C23D37 (1)
Weight, g/mol:	615.151404
ΔH_f, kcal/mol:	-125.1
Dipole, Da:	0.92
IP(EA), eV:	-9.27(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[5-[bis(4-chlorophenyl)methyl]-1-cyclopropylindazol-3-yl]piperidin-1-yl]methyl]thiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)NCC(CC2=CC=CC=C2)NC(=O)C(C)N)C(C)C

DOS

IR

Vibrations