Geometry & MOs

Info

ID:	130282
PubChem CID:	51075496
Reduced:	NF3O4C14H16 (1)
Stoich.:	AB3C4D14E16 (1)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-318.31
Dipole, Da:	5.36
IP(EA), eV:	-9.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[methyl-(3-pyrrol-1-ylbenzoyl)amino]butanoate

Drug info:

PubChemData

Smile

CN(CCCC(=O)OC)C(=O)C1=CC=C(C=C1)OC(F)(F)F

DOS

IR

Vibrations