Geometry & MOs

Info

ID:	272716
PubChem CID:	103752685
Reduced:	BrON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	-13.7
Dipole, Da:	3.46
IP(EA), eV:	-9.33(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 7-[(3-hydroxypropylamino)methyl]-2,3-dihydroindole-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)C)NC(=O)C2=C(N=CC=C2)Br

DOS

IR

Vibrations