Geometry & MOs

Info

ID:	426333
PubChem CID:	135143464
Reduced:	O2N3C20H45 (1)
Stoich.:	A2B3C20D45 (1)
Weight, g/mol:	639.397083
ΔH_f, kcal/mol:	-170.29
Dipole, Da:	2.07
IP(EA), eV:	-8.76(1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-4-(ethylamino)-2-methylphenyl]-1-[4-[[2-[(4-ethylpiperidin-1-yl)methyl]imidazol-1-yl]methyl]-5-methylthiophen-2-yl]-2,2-dimethyl-5-phenylpentan-3-one

Drug info:

PubChemData

Smile

CCCCCC(C)(C)CCC(CNC(C)CC)OCC(N)OC(C)N

DOS

IR

Vibrations