Geometry & MOs

Info

ID:	342498
PubChem CID:	127265653
Reduced:	ON4C20H28 (1)
Stoich.:	AB4C20D28 (1)
Weight, g/mol:	287.152144
ΔH_f, kcal/mol:	-10.37
Dipole, Da:	8.09
IP(EA), eV:	-8.88(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyclopropylbut-2-enoylamino)-2-methyl-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC2CCN(CC2)CC3=CC=C(C=C3)C#N)C(=O)N

DOS

IR

Vibrations