Geometry & MOs

Info

ID:	414640
PubChem CID:	135087599
Reduced:	N5C24H29 (1)
Stoich.:	A5B24C29 (1)
Weight, g/mol:	387.125277
ΔH_f, kcal/mol:	74.22
Dipole, Da:	6.26
IP(EA), eV:	-8.91(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]sulfonyl]-1H-benzo[cd]indol-2-one

Drug info:

PubChemData

Smile

CC1=NC=CN1CCCN2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations