Geometry & MOs

Info

ID:	213975
PubChem CID:	81065612
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	276.158626
ΔH_f, kcal/mol:	-173.67
Dipole, Da:	3.72
IP(EA), eV:	-8.26(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)NC1=CC(=C(C=C1)OC)C

DOS

IR

Vibrations