Geometry & MOs

Info

ID:	396264
PubChem CID:	135027886
Reduced:	O4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-139.31
Dipole, Da:	2.77
IP(EA), eV:	-9.36(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(benzylamino)methylidene]pent-4-enoate

Drug info:

PubChemData

Smile

CC(=C)/C=C/CC1CC1(C(=O)OC)C(=O)OC

DOS

IR

Vibrations