Geometry & MOs

Info

ID:	137173
PubChem CID:	52166125
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	315.158292
ΔH_f, kcal/mol:	-71.6
Dipole, Da:	4.76
IP(EA), eV:	-8.56(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(dimethylamino)-4-[(2,3-dimethylphenoxy)methyl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)OCC2=NC(=NC=C2C(=O)OC)N(C)C

DOS

IR

Vibrations