Geometry & MOs

Info

ID:	416992
PubChem CID:	135091000
Reduced:	N2O3C23H26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-49.75
Dipole, Da:	5.84
IP(EA), eV:	-7.64(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-[(2-ethylpyrimidin-4-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CC=CC=C2C(=O)N3C[C@@H]4COC[C@H](C3)N(C4=O)C

DOS

IR

Vibrations