Geometry & MOs

Info

ID:	123519
PubChem CID:	50852255
Reduced:	OSN3C26H27 (1)
Stoich.:	ABC3D26E27 (1)
Weight, g/mol:	273.092042
ΔH_f, kcal/mol:	35.03
Dipole, Da:	2.58
IP(EA), eV:	-8.44(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-[4-[(dimethylamino)methyl]phenyl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC(=O)NC2CC3=CC=CC=C3SC4=CC=CC=C24)C5=CC=CC=C5

DOS

IR

Vibrations