Geometry & MOs

Info

ID:	150472
PubChem CID:	53790162
Reduced:	ON2H16C18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	18.19
Dipole, Da:	2.21
IP(EA), eV:	-8.18(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-carbamimidoylphenyl) 3-(2-hydroxy-5-methoxyphenyl)-2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(NC2=CC=CC=C12)C3=C(C4=CC=CC=C4N3)CO

DOS

IR

Vibrations