Geometry & MOs

Info

ID:	416026
PubChem CID:	135089031
Reduced:	ON5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	338.21697
ΔH_f, kcal/mol:	-4.7
Dipole, Da:	4.15
IP(EA), eV:	-8.72(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-5-N-[(2,6-difluoro-4-methoxyphenyl)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(C=C1)NCCCNC(=O)CC(C)N2C=CN=C2

DOS

IR

Vibrations