Geometry & MOs

Info

ID:	437038
PubChem CID:	135214013
Reduced:	N3O3C24H29 (1)
Stoich.:	A3B3C24D29 (1)
Weight, g/mol:	453.208613
ΔH_f, kcal/mol:	-17.86
Dipole, Da:	7.87
IP(EA), eV:	-8.47(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-prop-2-enylamino]-4-[[(2R)-1-thiophen-3-ylpropan-2-yl]amino]cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CN(C)C(CC1=CC=C(C=C1)O)CN(C)C2=C(C(=O)C2=O)NCCC3=CC=CC=C3

DOS

IR

Vibrations