Geometry & MOs

Info

ID:	398229
PubChem CID:	135032371
Reduced:	NO2C22H23 (1)
Stoich.:	AB2C22D23 (1)
Weight, g/mol:	522.299476
ΔH_f, kcal/mol:	-14.36
Dipole, Da:	4.88
IP(EA), eV:	-7.7(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[1-[(3aS,8bS)-4-benzyl-3-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-yl]indol-3-yl]methyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1(CCC(=C1OC)C2=CC=C(C=C2)OC)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations