Geometry & MOs

Info

ID:	73543
PubChem CID:	48418081
Reduced:	FON4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	379.169605
ΔH_f, kcal/mol:	2.55
Dipole, Da:	3.89
IP(EA), eV:	-8.91(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-(1-methoxyisoquinolin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1)C2=CC=CC(=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations