Geometry & MOs

Info

ID:	190223
PubChem CID:	77971454
Reduced:	O2N3C25H25 (1)
Stoich.:	A2B3C25D25 (1)
Weight, g/mol:	535.25834
ΔH_f, kcal/mol:	10.19
Dipole, Da:	9.73
IP(EA), eV:	-9.01(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[6-(3-aminopropyl)-1-oxo-9-(1H-pyrazol-4-yl)-6aH-benzo[h]isoquinolin-4-yl]-3a,7a-dihydroindole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=CC=NC(=O)C2C3=C1C=CC(=C3)C4=CC(=CC=C4)C(=O)NCCN(C)C

DOS

IR

Vibrations