Geometry & MOs

Info

ID:	394313
PubChem CID:	135022757
Reduced:	ON4C35H36 (1)
Stoich.:	AB4C35D36 (1)
Weight, g/mol:	190.09938
ΔH_f, kcal/mol:	75.55
Dipole, Da:	3.15
IP(EA), eV:	-8.98(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylidene-2-phenyl-1,3-dioxepane

Drug info:

PubChemData

Smile

CC1(C2CC1C3=C(C2)N=C(C=C3)C4=NC(=CC=C4)C(C5=CC=CC(=N5)C6=NC7=C(C=C6)C8CC(C7)C8(C)C)O)C

DOS

IR

Vibrations