Geometry & MOs

Info

ID:	125249
PubChem CID:	50916901
Reduced:	PN2O4C30H41 (1)
Stoich.:	AB2C4D30E41 (1)
Weight, g/mol:	349.188923
ΔH_f, kcal/mol:	-234.15
Dipole, Da:	5.24
IP(EA), eV:	-8.2(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(E)-2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]but-2-enyl]amino]-5-methoxybenzoate

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC=C(C=C1)C)NC2=CC=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4)OCC

DOS

IR

Vibrations