Geometry & MOs

Info

ID:	313435
PubChem CID:	126614719
Reduced:	O4C15H18 (1)
Stoich.:	A4B15C18 (1)
Weight, g/mol:	182.178299
ΔH_f, kcal/mol:	-170.75
Dipole, Da:	2.16
IP(EA), eV:	-10.11(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,5-diamine

Drug info:

PubChemData

Smile

CC1CC(=O)C2CC3C(CC2C1=O)C(=O)C(C3=O)C

DOS

IR

Vibrations