Geometry & MOs

Info

ID:	132471
PubChem CID:	51366611
Reduced:	N3O7C23H31 (1)
Stoich.:	A3B7C23D31 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-275.31
Dipole, Da:	4.67
IP(EA), eV:	-8.43(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-ethoxyphenyl)-2-oxo-6-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN(C1)CC2=C(C(NC(=O)N2)C3=CC(=C(C=C3)OC)OC)C(=O)OC

DOS

IR

Vibrations