Geometry & MOs

Info

ID:	208220
PubChem CID:	80504537
Reduced:	N6C15H20 (1)
Stoich.:	A6B15C20 (1)
Weight, g/mol:	290.174276
ΔH_f, kcal/mol:	83.46
Dipole, Da:	5.3
IP(EA), eV:	-9.0(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[(4-cyano-5,6-diethylpyridazin-3-yl)-methylamino]propanoate

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1C#N)NCCC2=NC=CN2C)CC

DOS

IR

Vibrations