Geometry & MOs

Info

ID:	320624
PubChem CID:	126662138
Reduced:	O2H16C19 (2)
Stoich.:	A2B16C19 (2)
Weight, g/mol:	460.356597
ΔH_f, kcal/mol:	34.61
Dipole, Da:	1.38
IP(EA), eV:	-8.25(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-propan-2-yl-4H-imidazol-5-yl)-4-[2-[4-[4-(pyrrolidin-1-ylmethyl)cyclohexen-1-yl]phenyl]ethyl]piperidine

Drug info:

PubChemData

Smile

C=CCOC1=C(C(=C(C2=C1C3=C(C4=CC=CC=C42)C5=C(C=CC6=CC=CC=C65)C=C3)OCC=C)OCC=C)OCC=C

DOS

IR

Vibrations