Geometry & MOs

Info

ID:	418281
PubChem CID:	135104064
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	324.176855
ΔH_f, kcal/mol:	-104.72
Dipole, Da:	1.07
IP(EA), eV:	-9.68(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)CC(=O)N2CCCC3(C2)CCC4=CN=C(N=C34)C

DOS

IR

Vibrations