Geometry & MOs

Info

ID:	304286
PubChem CID:	124501442
Reduced:	N3C14H23 (1)
Stoich.:	A3B14C23 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	0.4
Dipole, Da:	2.82
IP(EA), eV:	-8.49(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[5-[(R)-hydroxy(phenyl)methyl]-3-methylpyridin-2-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC[C@H](C1=CN=C(C(=C1)C)N2CCCCC2)N

DOS

IR

Vibrations