Geometry & MOs

Info

ID:	426042
PubChem CID:	135135298
Reduced:	OSN4C18H24 (1)
Stoich.:	ABC4D18E24 (1)
Weight, g/mol:	200.112505
ΔH_f, kcal/mol:	-16.85
Dipole, Da:	3.19
IP(EA), eV:	-8.76(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)CC2CCN(C2)CC3=CN=C(S3)NC(=O)C

DOS

IR

Vibrations