Geometry & MOs

Info

ID:	421882
PubChem CID:	135116768
Reduced:	ClFN2O2C17H20 (1)
Stoich.:	ABC2D2E17F20 (1)
Weight, g/mol:	417.216475
ΔH_f, kcal/mol:	-130.85
Dipole, Da:	8.84
IP(EA), eV:	-9.58(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-ylmethanone

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)C(=O)N2CCN(C(=O)C2)C3CCCC3)Cl

DOS

IR

Vibrations