Geometry & MOs

Info

ID:	246061
PubChem CID:	103041010
Reduced:	ClFNC15H23 (1)
Stoich.:	ABCD15E23 (1)
Weight, g/mol:	243.119005
ΔH_f, kcal/mol:	-70.48
Dipole, Da:	4.2
IP(EA), eV:	-8.95(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-fluorophenyl)methyl]-N,2-dimethylbutan-1-amine

Drug info:

PubChemData

Smile

CCC(CC1=CC(=C(C=C1)F)Cl)CNCC(C)C

DOS

IR

Vibrations