Geometry & MOs

Info

ID:	417378
PubChem CID:	135092966
Reduced:	F2O2N3C14H17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	374.231791
ΔH_f, kcal/mol:	-126.36
Dipole, Da:	5.71
IP(EA), eV:	-9.14(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,8aS)-7-(5-cyclohexyl-1H-pyrazole-4-carbonyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)F)CN(CCO)CC2=NC=CN2)F

DOS

IR

Vibrations