Geometry & MOs

Info

ID:	206370
PubChem CID:	80240861
Reduced:	FNO2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	305.134656
ΔH_f, kcal/mol:	-100.09
Dipole, Da:	5.6
IP(EA), eV:	-9.44(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-N-[(4-fluoro-3,5-dimethylphenyl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C)CNCC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations