Geometry & MOs

Info

ID:	224434
PubChem CID:	85342842
Reduced:	O2C9H10 (3)
Stoich.:	A2B9C10 (3)
Weight, g/mol:	450.236601
ΔH_f, kcal/mol:	-146.5
Dipole, Da:	3.49
IP(EA), eV:	-8.35(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[2,4-bis(2,2-dimethylpropanoylamino)-3,5,6-trimethoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC#CCOC1C(OC2C1OC(O2)(C)C)C=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

DOS

IR

Vibrations