Geometry & MOs

Info

ID:	289649
PubChem CID:	104363394
Reduced:	BrNOC18H26 (1)
Stoich.:	ABCD18E26 (1)
Weight, g/mol:	305.118257
ΔH_f, kcal/mol:	-49.31
Dipole, Da:	3.16
IP(EA), eV:	-8.61(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(furan-2-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNC(CC1=CC(=CC2=C1OCC2)Br)C3CCCCC3

DOS

IR

Vibrations