Geometry & MOs

Info

ID:	265529
PubChem CID:	103528471
Reduced:	BrNOC14H16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	245.152812
ΔH_f, kcal/mol:	2.78
Dipole, Da:	3.92
IP(EA), eV:	-9.52(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-N-hex-1-yn-3-yl-6-methylpyridazine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC(C#C)NC(=O)CC1=CC=C(C=C1)Br

DOS

IR

Vibrations