Geometry & MOs

Info

ID:	153004
PubChem CID:	56312114
Reduced:	N2O3C23H28 (1)
Stoich.:	A2B3C23D28 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-60.7
Dipole, Da:	5.11
IP(EA), eV:	-8.55(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[[cyclopropylmethyl(1-phenylethyl)amino]methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(CC2CC2)CC(=O)NCC3COC4=CC=CC=C4O3

DOS

IR

Vibrations