Geometry & MOs

Info

ID:	43582
PubChem CID:	10321495
Reduced:	NO6C25H39 (1)
Stoich.:	AB6C25D39 (1)
Weight, g/mol:	449.235479
ΔH_f, kcal/mol:	-234.56
Dipole, Da:	1.44
IP(EA), eV:	-7.98(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[8,8-dimethyl-5-(4-methylphenyl)-7H-naphthalen-2-yl]-3-hydroxyprop-1-ynyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CC1(C(=C)N(C2=CC=CC=C21)CCCOCC3COCCOCCOCCOCCO3)C

DOS

IR

Vibrations