Geometry & MOs

Info

ID:	362568
PubChem CID:	127308280
Reduced:	ClON4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	379.161995
ΔH_f, kcal/mol:	26.42
Dipole, Da:	5.97
IP(EA), eV:	-9.02(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)NC3=CC(=C(C=C3)C(C#N)C4=CC=CC=C4)Cl

DOS

IR

Vibrations