Geometry & MOs

Info

ID:	58548
PubChem CID:	24702280
Reduced:	BrNOSH14C15 (1)
Stoich.:	ABCDE14F15 (1)
Weight, g/mol:	210.136828
ΔH_f, kcal/mol:	-3.54
Dipole, Da:	2.76
IP(EA), eV:	-8.72(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(furan-2-ylmethyl)-3-methylpentanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(S2)CCC3)Br

DOS

IR

Vibrations