Geometry & MOs

Info

ID:	186832
PubChem CID:	77490965
Reduced:	OSN6C22H30 (1)
Stoich.:	ABC6D22E30 (1)
Weight, g/mol:	486.324629
ΔH_f, kcal/mol:	26.43
Dipole, Da:	1.52
IP(EA), eV:	-8.38(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[6-[ethyl-[[4-[2-[methyl(prop-2-enyl)amino]ethyl]phenyl]methyl]amino]-4-methoxycyclohexa-2,4-dien-1-yl]-5,6,7,8-tetrahydronaphthalen-2-ol

Drug info:

PubChemData

Smile

CC1=CN(C(=C1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCSC4)C5=CC=CC=N5

DOS

IR

Vibrations