Geometry & MOs

Info

ID:	122113
PubChem CID:	50794966
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	386.170253
ΔH_f, kcal/mol:	-110.38
Dipole, Da:	5.0
IP(EA), eV:	-8.77(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethoxyphenyl)-3-(2-methyl-7-oxo-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)urea

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=C(C2=CC=CC=C2OC1=O)NC3CCCC3

DOS

IR

Vibrations