Geometry & MOs

Info

ID:	172352
PubChem CID:	75497204
Reduced:	FN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	305.05276
ΔH_f, kcal/mol:	-112.74
Dipole, Da:	4.77
IP(EA), eV:	-9.8(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-imidazol-1-ylethyl)-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)N(CC1=CC=CC=C1)C(=O)C2=CC(=CN=C2)F

DOS

IR

Vibrations