Geometry & MOs

Info

ID:	419528
PubChem CID:	135108348
Reduced:	SN3O3C19H19 (1)
Stoich.:	AB3C3D19E19 (1)
Weight, g/mol:	288.183778
ΔH_f, kcal/mol:	-14.83
Dipole, Da:	7.04
IP(EA), eV:	-9.24(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclopent-3-en-1-yl-[4-(spiro[2.2]pentane-2-carbonyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C(=CS1)C(=O)NCC2=NOC(=N2)C3CCCO3)C4=CC=CC=C4

DOS

IR

Vibrations