Geometry & MOs

Info

ID:	414384
PubChem CID:	135087340
Reduced:	O6N7C30H43 (1)
Stoich.:	A6B7C30D43 (1)
Weight, g/mol:	364.189926
ΔH_f, kcal/mol:	-226.18
Dipole, Da:	7.7
IP(EA), eV:	-8.95(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dimethylpyrazol-3-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)C3=CNN=C3)C(C)C

DOS

IR

Vibrations