Geometry & MOs

Info

ID:	335912
PubChem CID:	127254774
Reduced:	SN2O3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-47.13
Dipole, Da:	3.01
IP(EA), eV:	-8.29(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1H-indol-4-yl)urea

Drug info:

PubChemData

Smile

COC1=C(C=C2C(CCC2=C1)NC(=O)CC3=CSC(=N3)C4=CC=CC=C4)OC

DOS

IR

Vibrations