Geometry & MOs

Info

ID:	334391
PubChem CID:	127252943
Reduced:	ClNO7C24H24 (1)
Stoich.:	ABC7D24E24 (1)
Weight, g/mol:	382.273262
ΔH_f, kcal/mol:	-223.39
Dipole, Da:	4.88
IP(EA), eV:	-8.66(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9R)-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-en-3-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=C(C=C4)OCCO

DOS

IR

Vibrations