Geometry & MOs

Info

ID:	266720
PubChem CID:	103579200
Reduced:	NOCl2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	-3.12
Dipole, Da:	3.35
IP(EA), eV:	-9.99(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations