Geometry & MOs

Info

ID:	230653
PubChem CID:	87571567
Reduced:	N3O3C14H18 (1)
Stoich.:	A3B3C14D18 (1)
Weight, g/mol:	173.068808
ΔH_f, kcal/mol:	-51.86
Dipole, Da:	7.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.931035
Charge, e:	0

Chem-info

IUPAC name:

(propoxycarbonylamino) prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)[C@H](/C(=C/[N+]#N)/O)N(CC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations