Geometry & MOs

Info

ID:	361537
PubChem CID:	127303729
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-26.03
Dipole, Da:	6.3
IP(EA), eV:	-8.91(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1C2CCN(CC2)C(=O)C3=CC=CC(=C3)CN4CCOCC4

DOS

IR

Vibrations