Geometry & MOs

Info

ID:	150537
PubChem CID:	53790230
Reduced:	N3O7H37C38 (1)
Stoich.:	A3B7C37D38 (1)
Weight, g/mol:	409.215413
ΔH_f, kcal/mol:	-174.81
Dipole, Da:	9.44
IP(EA), eV:	-8.99(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-4-benzyl-2-(1H-indol-3-ylmethyl)piperazin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)[C@H]3C[C@@H]([C@H](O3)C(C(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)O)O

DOS

IR

Vibrations