Geometry & MOs

Info

ID:	396036
PubChem CID:	135027241
Reduced:	N2H16C17 (1)
Stoich.:	A2B16C17 (1)
Weight, g/mol:	306.146724
ΔH_f, kcal/mol:	97.81
Dipole, Da:	3.59
IP(EA), eV:	-9.28(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-[(2R,4R,6R)-2-(4-methoxyphenyl)-6-methyl-1,3-dioxan-4-yl]but-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(C=C(N=N2)C3=CC=CC=C3)C

DOS

IR

Vibrations