Geometry & MOs

Info

ID:	170379
PubChem CID:	75224976
Reduced:	O4C31H48 (1)
Stoich.:	A4B31C48 (1)
Weight, g/mol:	647.492697
ΔH_f, kcal/mol:	-223.64
Dipole, Da:	7.07
IP(EA), eV:	-8.7(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-4-[1-[2-[(2-benzylpiperazin-1-yl)methyl]pyrrolidin-1-yl]-3-phenylpropan-2-yl]-1-(cyclohexylmethyl)piperazine

Drug info:

PubChemData

Smile

CC1(C(CCC2(C1CC=C3C2=CCC4(C3(CCC4C(CCC(=C)C(C)(C)O)C(=O)O)C)C)C)O)C

DOS

IR

Vibrations