Geometry & MOs

Info

ID:	160826
PubChem CID:	57389905
Reduced:	SO3N8C32H42 (1)
Stoich.:	AB3C8D32E42 (1)
Weight, g/mol:	471.334859
ΔH_f, kcal/mol:	-46.01
Dipole, Da:	4.91
IP(EA), eV:	-8.24(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dimethoxyphenyl)-N-[5-(3,4-dimethoxyphenyl)pentyl]-N-propan-2-ylpentan-1-amine

Drug info:

PubChemData

Smile

CC1(CCC2=C(C1)C(=NC=N2)N3CCOC4=C(C3)C=C(C=C4)C5=CC(=C(N=C5)N6CC[C@@H](C6)N)S(=O)(=O)N7CC[C@@H](C7)N)C

DOS

IR

Vibrations