Geometry & MOs

Info

ID:	126292
PubChem CID:	50958958
Reduced:	O3N5C10H13 (1)
Stoich.:	A3B5C10D13 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-58.24
Dipole, Da:	7.03
IP(EA), eV:	-9.16(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methyl-2-[[(E)-pent-3-enoyl]amino]phenyl]pentanamide

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2=NNC(=O)N2CCC(=O)O

DOS

IR

Vibrations