Geometry & MOs

Info

ID:	408096
PubChem CID:	135080852
Reduced:	O2C13H16 (1)
Stoich.:	A2B13C16 (1)
Weight, g/mol:	204.126263
ΔH_f, kcal/mol:	-91.17
Dipole, Da:	5.89
IP(EA), eV:	-9.48(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-2-benzylpent-4-enamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@@H]2CC(=O)OC2(C)C

DOS

IR

Vibrations