Geometry & MOs

Info

ID:	441420
PubChem CID:	135234589
Reduced:	NS2O10H21C26 (1)
Stoich.:	AB2C10D21E26 (1)
Weight, g/mol:	244.193949
ΔH_f, kcal/mol:	-319.91
Dipole, Da:	13.27
IP(EA), eV:	-9.43(-2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(4-methyl-1H-indol-3-yl)hexan-2-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)N4C1=C5C=C6C=C(C(=O)C=C6OC5CC4)S(=O)(=O)O)CC(=O)O

DOS

IR

Vibrations