Geometry & MOs

Info

ID:	192478
PubChem CID:	78274160
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	376.118985
ΔH_f, kcal/mol:	-122.38
Dipole, Da:	6.36
IP(EA), eV:	-9.29(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(NNC2=O)CC(=O)OCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations