Geometry & MOs

Info

ID:	148086
PubChem CID:	53787748
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	372.119375
ΔH_f, kcal/mol:	-96.48
Dipole, Da:	3.92
IP(EA), eV:	-8.62(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[4-chloro-2-(dimethylamino)cycloheptyl]-N-phenylpropanethioamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=CC(=C1)C)NC(=O)CC

DOS

IR

Vibrations