Geometry & MOs

Info

ID:	59038
PubChem CID:	24770537
Reduced:	ON4H34C41 (1)
Stoich.:	AB4C34D41 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	192.61
Dipole, Da:	3.87
IP(EA), eV:	-8.24(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (Z)-3-(benzylamino)but-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C/2=C/3\C=CC(=N3)C4=CC=C(N4)C(C5=CC=C(N5)/C(=C\6/C=CC2=N6)/C7=CC=C(C=C7)C)(C8=CC=C(C=C8)C)OC

DOS

IR

Vibrations