Geometry & MOs

Info

ID:	304291
PubChem CID:	124502849
Reduced:	ON2H18C19 (1)
Stoich.:	AB2C18D19 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	41.54
Dipole, Da:	2.76
IP(EA), eV:	-8.42(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(S)-hydroxy(phenyl)methyl]pyridin-2-yl]piperazine-1-carbaldehyde

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C2=NC=C(C=C2)[C@H](C3=CC=CC=C3)O

DOS

IR

Vibrations