Geometry & MOs

Info

ID:	198184
PubChem CID:	79063001
Reduced:	F2N2C15H24 (1)
Stoich.:	A2B2C15D24 (1)
Weight, g/mol:	309.149557
ΔH_f, kcal/mol:	-86.87
Dipole, Da:	2.8
IP(EA), eV:	-8.69(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-2-methoxyphenyl)-[1-(dimethylamino)cycloheptyl]methanone

Drug info:

PubChemData

Smile

CCC(C)(C(CC1=C(C(=CC=C1)F)F)NC)N(C)C

DOS

IR

Vibrations