Geometry & MOs

Info

ID:	420866
PubChem CID:	135114943
Reduced:	FON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-35.58
Dipole, Da:	7.26
IP(EA), eV:	-8.9(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2C[C@H]3CC[C@@H](C2)N3C4=NC(=CN=C4)C(=O)N5CCCC5)F

DOS

IR

Vibrations