Geometry & MOs

Info

ID:	420862
PubChem CID:	135114939
Reduced:	N2C10H11 (2)
Stoich.:	A2B10C11 (2)
Weight, g/mol:	342.186732
ΔH_f, kcal/mol:	82.48
Dipole, Da:	5.61
IP(EA), eV:	-8.84(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-[5-(difluoromethyl)-2-methylpyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)CN(C)CCC2=CC=CC=N2)C3=CC=CC=C3

DOS

IR

Vibrations