Geometry & MOs

Info

ID:	308508
PubChem CID:	125333300
Reduced:	ON3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	49.62
Dipole, Da:	4.54
IP(EA), eV:	-8.93(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,9aS)-6-methoxy-2,3,4,9a-tetrahydro-1H-carbazol-1-yl]-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)C2=NN=C(C2)CC#N

DOS

IR

Vibrations