Geometry & MOs

Info

ID:	423650
PubChem CID:	135119904
Reduced:	ON4C22H32 (1)
Stoich.:	AB4C22D32 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-16.67
Dipole, Da:	7.5
IP(EA), eV:	-8.84(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(3aS,7R,7aR)-7-hydroxy-7-phenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]pyridin-3-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCN(C)C)C(=O)C(C2CCCC2)C3=CC=CC=C3

DOS

IR

Vibrations