Geometry & MOs

Info

ID:	362562
PubChem CID:	127308274
Reduced:	FO2N4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-61.47
Dipole, Da:	6.74
IP(EA), eV:	-8.68(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(2-methoxy-4-methylphenoxy)pyridin-3-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2CN(CCN2C1)C(=O)NC3=CN=C(C=C3)OC4=CC=C(C=C4)F

DOS

IR

Vibrations