Geometry & MOs

Info

ID:	204711
PubChem CID:	79999171
Reduced:	NSO3H15C16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	-70.77
Dipole, Da:	3.7
IP(EA), eV:	-9.64(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-benzoxazol-6-amine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NCC2=CC=CC=C2)/C=C/C(=O)O

DOS

IR

Vibrations