Geometry & MOs

Info

ID:	315032
PubChem CID:	126624241
Reduced:	O4N7C14H17 (1)
Stoich.:	A4B7C14D17 (1)
Weight, g/mol:	224.120115
ΔH_f, kcal/mol:	-58.95
Dipole, Da:	4.27
IP(EA), eV:	-9.04(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzyl-2-ethenyl-1-methoxybenzene

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N

DOS

IR

Vibrations