Geometry & MOs

Info

ID:	448367
PubChem CID:	135290420
Reduced:	O7C18H18 (1)
Stoich.:	A7B18C18 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-236.77
Dipole, Da:	6.71
IP(EA), eV:	-9.02(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-3-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]prop-2-enoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)O)OC)OC

DOS

IR

Vibrations