Geometry & MOs

Info

ID:	446412
PubChem CID:	135274789
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	199.120843
ΔH_f, kcal/mol:	-70.07
Dipole, Da:	5.32
IP(EA), eV:	-9.14(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (Z)-2-acetyl-3-aminobut-2-enoate

Drug info:

PubChemData

Smile

C/C(=C(\C(=O)C)/C(=O)NCC1=CC=CC=C1)/N

DOS

IR

Vibrations