Geometry & MOs

Info

ID:	368801
PubChem CID:	127330186
Reduced:	O3N5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-84.09
Dipole, Da:	6.7
IP(EA), eV:	-8.34(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)C(=O)NC2CCN(C2=O)C3=CN(N=C3)C)C

DOS

IR

Vibrations