Geometry & MOs

Info

ID:	39937
PubChem CID:	8143232
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	374.18167
ΔH_f, kcal/mol:	-27.51
Dipole, Da:	6.63
IP(EA), eV:	-9.11(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-3-methylspiro[4,6-dihydrobenzo[h]quinazoline-5,1'-cyclopentane]

Drug info:

PubChemData

Smile

COCCN(CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NCC#C

DOS

IR

Vibrations