Geometry & MOs

Info

ID:	42265
PubChem CID:	8149373
Reduced:	N3O4C19H28 (1)
Stoich.:	A3B4C19D28 (1)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	-150.28
Dipole, Da:	13.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759198
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-6-[(3-ethoxypropylamino)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOCCC[NH2+]CC1=C([C@H](NC(=O)N1)C2=CC=CC=C2)C(=O)OCC

DOS

IR

Vibrations