Geometry & MOs

Info

ID:	423334
PubChem CID:	135119324
Reduced:	N2O2C9H12 (2)
Stoich.:	A2B2C9D12 (2)
Weight, g/mol:	388.172225
ΔH_f, kcal/mol:	-87.11
Dipole, Da:	2.71
IP(EA), eV:	-8.47(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-(cyclopropylmethyl)-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC2=NOC(=C2C(=O)O)C3=CC=C(C=C3)OC)C

DOS

IR

Vibrations