Geometry & MOs

Info

ID:	174682
PubChem CID:	75806173
Reduced:	N3O3C18H28 (1)
Stoich.:	A3B3C18D28 (1)
Weight, g/mol:	342.145381
ΔH_f, kcal/mol:	-126.98
Dipole, Da:	5.95
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755314
Charge, e:	-1

Chem-info

IUPAC name:

4-methyl-2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]pentanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)C[NH+]2CCCC(C2)O)C

DOS

IR

Vibrations