Geometry & MOs

Info

ID:	55725
PubChem CID:	17396180
Reduced:	FOSN4C19H19 (1)
Stoich.:	ABCD4E19F19 (1)
Weight, g/mol:	312.147393
ΔH_f, kcal/mol:	-3.71
Dipole, Da:	6.95
IP(EA), eV:	-8.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hydroxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C)NC(=O)CSC2=NNC(=N2)C3=CC=CC=C3F

DOS

IR

Vibrations