Geometry & MOs

Info

ID:	289667
PubChem CID:	104364962
Reduced:	BClKOF3H8C9 (1)
Stoich.:	ABCDE3F8G9 (1)
Weight, g/mol:	349.07897
ΔH_f, kcal/mol:	-327.94
Dipole, Da:	19.28
IP(EA), eV:	-8.09(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-3-methylpyrazol-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

[B-](CC1=CC(=CC2=C1OCC2)Cl)(F)(F)F.[K+]

DOS

IR

Vibrations