Geometry & MOs

Info

ID:	156646
PubChem CID:	56371503
Reduced:	BrN2O2C21H25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	-44.78
Dipole, Da:	3.65
IP(EA), eV:	-8.65(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[6-(2-methoxy-4-methylphenoxy)pyridin-3-yl]urea

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=C(C=C(C=C2)Br)O)CCCC3=CC=CC=C3

DOS

IR

Vibrations