Geometry & MOs

Info

ID:	324181
PubChem CID:	126677084
Reduced:	N9C21H23 (1)
Stoich.:	A9B21C23 (1)
Weight, g/mol:	287.0321
ΔH_f, kcal/mol:	170.16
Dipole, Da:	2.71
IP(EA), eV:	-8.49(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1-bromo-3-fluoropiperidin-4-yl)phenyl]methanol

Drug info:

PubChemData

Smile

C1[C@H]2CN[C@@H]1CN2C3=CC=CC(=C3)CN4C=C(C=N4)CC5=CC(=NC6=NNN=C56)N

DOS

IR

Vibrations