Geometry & MOs

Info

ID:	438348
PubChem CID:	135228081
Reduced:	N5O14C24H45 (1)
Stoich.:	A5B14C24D45 (1)
Weight, g/mol:	415.262363
ΔH_f, kcal/mol:	-610.76
Dipole, Da:	4.21
IP(EA), eV:	-9.58(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-[4-[2-(4-methylpentoxy)-9H-fluoren-4-yl]pyrazol-1-yl]but-1-en-2-amine

Drug info:

PubChemData

Smile

C=C(C1C(C(C(O1)OC2C(C(CC(C2OC3C(C(C(C(O3)CO)O)O)N)N)N)O)O)OC4C(C([C@@H](C(O4)CN)O)O)N)O

DOS

IR

Vibrations