Geometry & MOs

Info

ID:	423356
PubChem CID:	135119355
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	304.231477
ΔH_f, kcal/mol:	16.98
Dipole, Da:	2.36
IP(EA), eV:	-9.45(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-5-N-[(5-fluoro-2-methylphenyl)methyl]-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine

Drug info:

PubChemData

Smile

CCC1=NNC(=N1)CN2CCNC(=O)C2CC3=CC=CC=C3

DOS

IR

Vibrations