Geometry & MOs

Info

ID:	130057
PubChem CID:	51074802
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	321.168856
ΔH_f, kcal/mol:	-44.83
Dipole, Da:	4.53
IP(EA), eV:	-8.87(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-(cyclopropylmethoxy)propyl]-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)NC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations