Geometry & MOs

Info

ID:	448379
PubChem CID:	135290495
Reduced:	N4O5C20H22 (1)
Stoich.:	A4B5C20D22 (1)
Weight, g/mol:	364.142307
ΔH_f, kcal/mol:	-171.79
Dipole, Da:	4.16
IP(EA), eV:	-8.9(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-methoxy-3-[(prop-2-ynylamino)methyl]phenyl]prop-2-enoylamino]benzoic acid

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2CC(=CC2=O)C3=CC=C(C=C3)N4CCN(CC4)C(=O)O

DOS

IR

Vibrations