Geometry & MOs

Info

ID:	336321
PubChem CID:	127255328
Reduced:	ClNO6H32C34 (1)
Stoich.:	ABC6D32E34 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-135.34
Dipole, Da:	6.69
IP(EA), eV:	-8.22(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3,4-dimethoxyphenyl)-2-methylpropyl]-3-(1-methylindol-5-yl)urea

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)[C@H]1[C@@H](C2(C3N1C4=C(C=C3)C=C(C=C4)Cl)C(=O)C5=CC=CC=C5C2=O)C6=C(C(=C(C=C6)OC)OC)OC

DOS

IR

Vibrations