Geometry & MOs

Info

ID:	297314
PubChem CID:	117614933
Reduced:	O2N3C22H25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	342.121572
ΔH_f, kcal/mol:	-37.25
Dipole, Da:	5.14
IP(EA), eV:	-8.33(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-methoxycarbonylphenyl)methylcarbamoylamino]benzoate

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC=C2)C(=O)N3CCC(=C(C3)N)NC4=CC=CC=C4)C

DOS

IR

Vibrations