Geometry & MOs

Info

ID:	419770
PubChem CID:	135109043
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	386.155432
ΔH_f, kcal/mol:	-53.18
Dipole, Da:	2.52
IP(EA), eV:	-8.47(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N=C(N=C1N2CCC3(CC2)C4=C(CCO3)C=CC=C4OC)C)C

DOS

IR

Vibrations