Geometry & MOs

Info

ID:	266677
PubChem CID:	103578936
Reduced:	NOC15H17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	246.100442
ΔH_f, kcal/mol:	39.47
Dipole, Da:	3.55
IP(EA), eV:	-9.61(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-nitro-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1(CC1)C2=CC=CC=C2

DOS

IR

Vibrations