Geometry & MOs

Info

ID:	233025
PubChem CID:	87691435
Reduced:	ClN2O2C10H18 (2)
Stoich.:	AB2C2D10E18 (2)
Weight, g/mol:	359.222722
ΔH_f, kcal/mol:	-188.07
Dipole, Da:	4.06
IP(EA), eV:	-9.42(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(chloroamino)-2,4,6-tricyclopropyl-8-methylnonane-1,3,5-triol

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(N1Cl)(C)C)CCOCCOCCN2C(=O)C(N(C2(C)C)Cl)(C)C)C

DOS

IR

Vibrations