Geometry & MOs

Info

ID:	216876
PubChem CID:	85086917
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	-75.74
Dipole, Da:	4.27
IP(EA), eV:	-9.41(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-pyridin-3-ylpyrazole-1-carboxamide

Drug info:

PubChemData

Smile

CCCN1C2CC(NC2C(=O)N(C1=O)CCC)C3=CC=CC=C3

DOS

IR

Vibrations