Geometry & MOs

Info

ID:	205768
PubChem CID:	80154666
Reduced:	FON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	276.220164
ΔH_f, kcal/mol:	-36.23
Dipole, Da:	5.65
IP(EA), eV:	-9.02(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-[(3-methylcyclohexyl)oxymethyl]pyridin-3-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)C(=O)C)N(C)CC2=CC=NC=C2

DOS

IR

Vibrations