Geometry & MOs

Info

ID:	261675
PubChem CID:	103244932
Reduced:	ClNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	210.136828
ΔH_f, kcal/mol:	-95.55
Dipole, Da:	6.11
IP(EA), eV:	-9.57(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[(1-cyclopropylpyrrolidin-3-yl)amino]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)CNC(C)C2=CC=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations