Geometry & MOs

Info

ID:	281088
PubChem CID:	103852859
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	309.07283
ΔH_f, kcal/mol:	-95.21
Dipole, Da:	4.66
IP(EA), eV:	-9.43(1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-but-3-enoxyethyl)-2,3-dihydro-1H-inden-1-amine

Drug info:

PubChemData

Smile

CCCNC(=O)C(C)NCCOCCC=C

DOS

IR

Vibrations