Geometry & MOs

Info

ID:	310138
PubChem CID:	126575080
Reduced:	O2N3H15C18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	343.189592
ΔH_f, kcal/mol:	34.81
Dipole, Da:	4.17
IP(EA), eV:	-9.64(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2,5-dimethylpyrrol-1-yl)-4-[(2-methylpropylamino)carbamoyl]benzoate

Drug info:

PubChemData

Smile

CN(CC1=C(C2=C(C=C1)N=CC=C2)C=O)C3=C(C=CC=N3)C=O

DOS

IR

Vibrations