Geometry & MOs

Info

ID:	325710
PubChem CID:	126684589
Reduced:	ON4C20H22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	251.168543
ΔH_f, kcal/mol:	54.5
Dipole, Da:	6.96
IP(EA), eV:	-9.18(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluoro-5-propan-2-ylphenyl)methyl]-1-(oxolan-3-yl)methanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC(=C(C=C3)N=C)C(=NC)N

DOS

IR

Vibrations