Geometry & MOs

Info

ID:	430333
PubChem CID:	135170397
Reduced:	NOH19C25 (1)
Stoich.:	ABC19D25 (1)
Weight, g/mol:	358.214409
ΔH_f, kcal/mol:	76.41
Dipole, Da:	3.02
IP(EA), eV:	-8.07(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,5-dimethyl-4-(4-prop-2-enoyloxybutyl)phenyl]butyl prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=CC(=C4)C=O

DOS

IR

Vibrations