Geometry & MOs

Info

ID:	123083
PubChem CID:	50832008
Reduced:	FO4N6H21C24 (1)
Stoich.:	AB4C6D21E24 (1)
Weight, g/mol:	388.189926
ΔH_f, kcal/mol:	-61.48
Dipole, Da:	3.12
IP(EA), eV:	-8.41(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylphenyl)methyl]-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide

Drug info:

PubChemData

Smile

CCC1=NOC(=N1)CN2C=NC3=C(C2=O)N(C4=C3C=C(C=C4)OC)CC(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations