Geometry & MOs

Info

ID:	277268
PubChem CID:	103827566
Reduced:	NOC6H13 (2)
Stoich.:	ABC6D13 (2)
Weight, g/mol:	277.215413
ΔH_f, kcal/mol:	-127.49
Dipole, Da:	4.81
IP(EA), eV:	-9.38(1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)pentan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)NCCCCCOC)N

DOS

IR

Vibrations