Geometry & MOs

Info

ID:	131665
PubChem CID:	51240050
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	383.159354
ΔH_f, kcal/mol:	-105.88
Dipole, Da:	2.15
IP(EA), eV:	-9.09(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)C2=NN(C(=O)C=C2)CCOC3=CC=CC=C3

DOS

IR

Vibrations