Geometry & MOs

Info

ID:	140080
PubChem CID:	52643082
Reduced:	BrN2O3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	392.07356
ΔH_f, kcal/mol:	-86.07
Dipole, Da:	4.5
IP(EA), eV:	-8.56(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methylphenyl)-3-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)NC(=O)N[C@@H](C)C2=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations