Geometry & MOs

Info

ID:	17205
PubChem CID:	488180
Reduced:	ON3C24H35 (1)
Stoich.:	AB3C24D35 (1)
Weight, g/mol:	381.278013
ΔH_f, kcal/mol:	-44.69
Dipole, Da:	3.19
IP(EA), eV:	-7.88(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclohexylamino)-3-(12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-4-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3CCN(C4C3=C2CCC4)CC(CNC5CCCCC5)O

DOS

IR

Vibrations