Geometry & MOs

Info

ID:	344340
PubChem CID:	127267516
Reduced:	OSN2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-21.22
Dipole, Da:	4.86
IP(EA), eV:	-7.98(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-[3-(2-methoxyethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)NC(=O)C(C)CSC

DOS

IR

Vibrations