Geometry & MOs

Info

ID:	287916
PubChem CID:	104298686
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	284.188863
ΔH_f, kcal/mol:	-20.2
Dipole, Da:	2.63
IP(EA), eV:	-9.4(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-aminoprop-1-ynyl)-N-(cyclohexylmethyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(=O)N)C#CCN

DOS

IR

Vibrations