Geometry & MOs

Info

ID:	266746
PubChem CID:	103579273
Reduced:	BrON2C11H11 (1)
Stoich.:	ABC2D11E11 (1)
Weight, g/mol:	165.115364
ΔH_f, kcal/mol:	29.62
Dipole, Da:	4.15
IP(EA), eV:	-10.16(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-pent-1-yn-3-ylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CC(=CN=C1)Br

DOS

IR

Vibrations