Geometry & MOs

Info

ID:	140262
PubChem CID:	52671258
Reduced:	O2N4C22H25 (1)
Stoich.:	A2B4C22D25 (1)
Weight, g/mol:	376.189926
ΔH_f, kcal/mol:	36.76
Dipole, Da:	30.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.880474
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(diethylamino)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC[NH+](CC)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=CC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations