Geometry & MOs

Info

ID:	266732
PubChem CID:	103579233
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	-12.51
Dipole, Da:	2.62
IP(EA), eV:	-9.11(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-nitro-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1COC2=CC=CC=C12

DOS

IR

Vibrations