Geometry & MOs

Info

ID:	74167
PubChem CID:	48421539
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	369.172228
ΔH_f, kcal/mol:	-15.8
Dipole, Da:	4.92
IP(EA), eV:	-8.35(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyano-4,5-dimethylthiophen-2-yl)-1-[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]-1-methylurea

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC2CCN(CC2)C(=O)NC3=CC=CC=N3

DOS

IR

Vibrations