Geometry & MOs

Info

ID:	305602
PubChem CID:	124961904
Reduced:	N2O3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	394.191738
ΔH_f, kcal/mol:	-96.86
Dipole, Da:	4.06
IP(EA), eV:	-9.72(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,8S)-3-(3-fluoroanilino)-4,5,11-triazatricyclo[6.2.1.02,6]undeca-2(6),3-dien-11-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C[C@H](COC)NC(=O)C1(CCOCC1)CC2=CC(=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations