Geometry & MOs

Info

ID:	280035
PubChem CID:	103846493
Reduced:	BrSN2C16H19 (1)
Stoich.:	ABC2D16E19 (1)
Weight, g/mol:	323.08848
ΔH_f, kcal/mol:	35.7
Dipole, Da:	2.09
IP(EA), eV:	-9.38(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(4-methyloxan-4-yl)methyl]-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

CCC1=CN=C(S1)C(C)NC2CCC3=C2C=CC=C3Br

DOS

IR

Vibrations