Geometry & MOs

Info

ID:	137174
PubChem CID:	52166126
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	385.163771
ΔH_f, kcal/mol:	-72.62
Dipole, Da:	3.42
IP(EA), eV:	-8.59(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(1,3-benzodioxol-5-yloxymethyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC2=NC(=NC=C2C(=O)OC)N(C)C)C

DOS

IR

Vibrations