Geometry & MOs

Info

ID:	203491
PubChem CID:	79837657
Reduced:	BrNC11H14 (1)
Stoich.:	ABC11D14 (1)
Weight, g/mol:	267.102606
ΔH_f, kcal/mol:	5.22
Dipole, Da:	4.21
IP(EA), eV:	-9.31(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10S)-7-chloro-8,8-dimethyl-3,4,9,10-tetrahydro-2H-cyclopenta[i][1,5]benzodioxepin-10-amine

Drug info:

PubChemData

Smile

CC1(C[C@@H](C2=C1C=CC(=C2)Br)N)C

DOS

IR

Vibrations