Geometry & MOs

Info

ID:	137170
PubChem CID:	52165882
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-99.32
Dipole, Da:	7.47
IP(EA), eV:	-9.15(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(3,5-dimethylphenoxy)methyl]-2-[(3S)-3-methylpiperidin-1-yl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1COC2=CC=C(C=C2)C=O)N3CCCC3

DOS

IR

Vibrations