Geometry & MOs

Info

ID:	425235
PubChem CID:	135125604
Reduced:	BrN2O2H7C9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	414.194343
ΔH_f, kcal/mol:	13.27
Dipole, Da:	1.85
IP(EA), eV:	-10.35(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopropyl-(4-hydroxy-6-quinolin-3-ylspiro[3,4-dihydrochromene-2,4'-piperidine]-3-yl)methanone

Drug info:

PubChemData

Smile

CCOC(=O)C#CC1=CN=C(C=N1)Br

DOS

IR

Vibrations