Geometry & MOs

Info

ID:	414847
PubChem CID:	135087819
Reduced:	N3O3C24H35 (1)
Stoich.:	A3B3C24D35 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-134.05
Dipole, Da:	4.96
IP(EA), eV:	-9.21(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-benzyl-1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)N3CC[C@]4(CCCN([C@@H]4C3)C)CO

DOS

IR

Vibrations