Geometry & MOs

Info

ID:	383368
PubChem CID:	134975055
Reduced:	NO5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	379.193614
ΔH_f, kcal/mol:	-209.13
Dipole, Da:	3.29
IP(EA), eV:	-9.86(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-diphenyl-1H-isoquinolin-1-yl)cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1(OCC(O1)[C@@H]2[C@@]3(CN3)[C@@H]4[C@H](O2)OC(O4)(C)C)C

DOS

IR

Vibrations