Geometry & MOs

Info

ID:	197871
PubChem CID:	79008366
Reduced:	FN2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	19.43
Dipole, Da:	4.51
IP(EA), eV:	-8.72(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-4-ylmethyl)-1-phenylbutan-2-amine

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=C1)(C#N)NC2=CC=C(C=C2)F

DOS

IR

Vibrations