Geometry & MOs

Info

ID:	227700
PubChem CID:	87562255
Reduced:	N3C26H33 (1)
Stoich.:	A3B26C33 (1)
Weight, g/mol:	207.074287
ΔH_f, kcal/mol:	91.66
Dipole, Da:	2.36
IP(EA), eV:	-8.53(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butanedioic acid;2-(methylamino)acetic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2CCN(CC2)C3CCN(CC3)CCC4=CC=C(C=C4)C#C

DOS

IR

Vibrations