Geometry & MOs

Info

ID:	217319
PubChem CID:	85087614
Reduced:	N2O3C21H24 (1)
Stoich.:	A2B3C21D24 (1)
Weight, g/mol:	352.178693
ΔH_f, kcal/mol:	-87.31
Dipole, Da:	3.35
IP(EA), eV:	-9.49(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-hydroxy-2-phenyl-2,3,3a,4-tetrahydropyrazolo[1,5-a]indole-1-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations