Geometry & MOs

Info

ID:	306077
PubChem CID:	125001577
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	343.156373
ΔH_f, kcal/mol:	-68.39
Dipole, Da:	3.0
IP(EA), eV:	-9.46(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-12-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-5-cyclopropyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)CC[C@@H]2CN(CCO2)C(=O)CCC3=C(ON=C3C)C

DOS

IR

Vibrations