Geometry & MOs

Info

ID:	222733
PubChem CID:	85332188
Reduced:	O2N5F6C22H23 (1)
Stoich.:	A2B5C6D22E23 (1)
Weight, g/mol:	495.324963
ΔH_f, kcal/mol:	-331.48
Dipole, Da:	10.12
IP(EA), eV:	-8.87(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-benzhydryl-3-methylpiperazin-1-yl)-4-methylpiperidin-1-yl]-(2,6-dimethylphenyl)methanone

Drug info:

PubChemData

Smile

C1CC2CNNC2CC1NC3=C(C=CC=N3)C(=O)NC4=CC=C(C=C4)C(C(F)(F)F)(C(F)(F)F)O

DOS

IR

Vibrations