Geometry & MOs

Info

ID:	325385
PubChem CID:	126683023
Reduced:	N3H35C51 (1)
Stoich.:	A3B35C51 (1)
Weight, g/mol:	222.209599
ΔH_f, kcal/mol:	221.36
Dipole, Da:	2.03
IP(EA), eV:	-8.28(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,5S,6R)-1,4-diethyl-2,3,5,6-tetramethyl-2,3,5,6-tetrahydropyrrolo[3,2-b]pyrrole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C5=C(C=C(C=C5)C6=CC=CC=C6)N(C4=C3)C7=NC(=CC(=N7)C8=CC9=CC=CC=C9C=C8)C1=CC2=CC=CC=C2C=C1)C

DOS

IR

Vibrations