Geometry & MOs

Info

ID:	191079
PubChem CID:	78102317
Reduced:	N4O5H24C25 (1)
Stoich.:	A4B5C24D25 (1)
Weight, g/mol:	458.235162
ΔH_f, kcal/mol:	-132.75
Dipole, Da:	8.4
IP(EA), eV:	-8.91(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-cyano-2-[4-(1-propan-2-ylsulfonylpiperidin-4-yl)phenyl]ethyl]-2-azabicyclo[2.2.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)NC2=CC=C(C=C2)C3=CN=C(C=C3)C(=O)N4CCCC4C(=O)O

DOS

IR

Vibrations