Geometry & MOs

Info

ID:	192979
PubChem CID:	78330674
Reduced:	NO2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	428.197904
ΔH_f, kcal/mol:	-139.87
Dipole, Da:	7.87
IP(EA), eV:	-9.14(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]-5-methyl-7-oxo-2,3,3a,4-tetrahydro-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(CC2CC3CCC(CC3NC2=O)OC)C(=O)COC4=CC=CC=C4

DOS

IR

Vibrations