Geometry & MOs

Info

ID:	185734
PubChem CID:	77341805
Reduced:	ClO2N3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	350.13789
ΔH_f, kcal/mol:	32.01
Dipole, Da:	2.58
IP(EA), eV:	-9.48(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-methyl-5-[(6-oxo-3H-pyridazin-3-yl)methyl]pyrrole-2-carbonyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CN1C(=CC=C1C(=O)C2=CC=C(C=C2)Cl)CC3C=CC(=O)N=N3

DOS

IR

Vibrations