Geometry & MOs

Info

ID:	132605
PubChem CID:	51385441
Reduced:	O3N5C25H46 (1)
Stoich.:	A3B5C25D46 (1)
Weight, g/mol:	463.35224
ΔH_f, kcal/mol:	-179.63
Dipole, Da:	6.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752864
Charge, e:	0

Chem-info

IUPAC name:

6-amino-N-(cyclohexylmethyl)-2-oxo-7-(3-propan-2-yloxypropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradecane-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)OCCC[NH+]1C(C(CC2C1NC3CCCCN3C2=O)C(=O)NCC4CCCCC4)N

DOS

IR

Vibrations