Geometry & MOs

Info

ID:	327213
PubChem CID:	126689233
Reduced:	O3N5C30H41 (1)
Stoich.:	A3B5C30D41 (1)
Weight, g/mol:	253.110279
ΔH_f, kcal/mol:	-88.42
Dipole, Da:	2.94
IP(EA), eV:	-8.33(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(2-anilinophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CN(C)C(=O)NCCCN(C)C1=NC2=CC=CC=C2C(N1C3=CC=C(C=C3)C4CCCCC4)CC(=O)OC

DOS

IR

Vibrations