Geometry & MOs

Info

ID:	266733
PubChem CID:	103579235
Reduced:	N2O3C13H14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	279.02588
ΔH_f, kcal/mol:	2.71
Dipole, Da:	6.13
IP(EA), eV:	-10.11(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-methyl-N-pent-1-yn-3-ylbenzamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=C(C=CC(=C1)C)[N+](=O)[O-]

DOS

IR

Vibrations