Geometry & MOs

Info

ID:	135247
PubChem CID:	51839707
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-98.93
Dipole, Da:	1.29
IP(EA), eV:	-8.76(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R)-N-butyl-2-[3-methylbut-2-enoyl-[(5-methylfuran-2-yl)methyl]amino]pent-3-enamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC=CC=C1)N(CC2=CC=C(O2)C)C(=O)C=C(C)C

DOS

IR

Vibrations