Geometry & MOs

Info

ID:	243760
PubChem CID:	99234656
Reduced:	ClO2N4H17C23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	386.112123
ΔH_f, kcal/mol:	19.41
Dipole, Da:	6.65
IP(EA), eV:	-9.23(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[(2R)-2-propan-2-ylpyrrolidin-1-yl]-2-[5-(trifluoromethyl)pyridin-2-yl]pyridazin-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC(=CC=C2)N3C=CN=C3)NC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations