Geometry & MOs

Info

ID:	403343
PubChem CID:	135059805
Reduced:	SO3N7H19C21 (1)
Stoich.:	AB3C7D19E21 (1)
Weight, g/mol:	252.162649
ΔH_f, kcal/mol:	43.42
Dipole, Da:	6.46
IP(EA), eV:	-8.73(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-1-pentylpyrido[3,4-b]indole

Drug info:

PubChemData

Smile

CC1=C2C(=C(C(=N1)C(=O)NC3=CC=CC=C3)N=[N+]=[N-])C4=CC=CC=C4N2S(=O)(=O)N(C)C

DOS

IR

Vibrations