Geometry & MOs

Info

ID:	137171
PubChem CID:	52166039
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	345.132471
ΔH_f, kcal/mol:	-103.97
Dipole, Da:	4.74
IP(EA), eV:	-8.76(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(dimethylamino)-4-[(4-methoxycarbonylphenoxy)methyl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1COC2=CC(=CC(=C2)C)C)N3CCC[C@@H](C3)C

DOS

IR

Vibrations