Geometry & MOs

Info

ID:	198118
PubChem CID:	79050327
Reduced:	FNOC13H14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	294.186277
ΔH_f, kcal/mol:	-82.91
Dipole, Da:	4.65
IP(EA), eV:	-8.77(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azepan-1-yl)-1-(3-chlorophenyl)-N,2-dimethylpropan-1-amine

Drug info:

PubChemData

Smile

CCC1=C(C(=O)C2=C(N1)C=C(C=C2C)F)C

DOS

IR

Vibrations