Geometry & MOs

Info

ID:	142842
PubChem CID:	53098750
Reduced:	ClON4H21C22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	376.169939
ΔH_f, kcal/mol:	44.22
Dipole, Da:	7.43
IP(EA), eV:	-8.56(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations