Geometry & MOs

Info

ID:	437037
PubChem CID:	135214012
Reduced:	OSN4C21H26 (1)
Stoich.:	ABC4D21E26 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	42.19
Dipole, Da:	8.29
IP(EA), eV:	-8.61(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-methylamino]-4-(2-phenylethylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CN(C)C(CC1=CC=CC=C1)CN(C)C2=NC(=O)C=C(N2)CC3=CSC=C3

DOS

IR

Vibrations