Geometry & MOs

Info

ID:	266799
PubChem CID:	103579496
Reduced:	NOC12H19 (1)
Stoich.:	ABC12D19 (1)
Weight, g/mol:	215.131014
ΔH_f, kcal/mol:	-23.37
Dipole, Da:	3.56
IP(EA), eV:	-9.8(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1(CCCC1)C

DOS

IR

Vibrations