Geometry & MOs

Info

ID:	137167
PubChem CID:	52164850
Reduced:	O2N6C17H26 (1)
Stoich.:	A2B6C17D26 (1)
Weight, g/mol:	377.21888
ΔH_f, kcal/mol:	-21.44
Dipole, Da:	5.11
IP(EA), eV:	-8.56(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 4-[(4-ethoxycarbonylpiperidin-1-ium-1-yl)methyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CN(C)CC2=NC(=NC=C2C(=O)OC)N(C)C

DOS

IR

Vibrations