Geometry & MOs

Info

ID:	334628
PubChem CID:	127253303
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	436.320212
ΔH_f, kcal/mol:	-54.92
Dipole, Da:	3.28
IP(EA), eV:	-8.64(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,9R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CN1C=CC2=C1C=CC(=C2)C(=O)N3CC4CC(C3)C5CCCC(=O)N5C4

DOS

IR

Vibrations