Geometry & MOs

Info

ID:	68870
PubChem CID:	46510366
Reduced:	BrN2O5C20H23 (1)
Stoich.:	AB2C5D20E23 (1)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-146.79
Dipole, Da:	7.42
IP(EA), eV:	-9.23(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-(4-methoxyphenyl)propanoylamino]-4-pyrrolidin-1-ylbenzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Br)C(=O)NC2CCN(CC2)C(=O)C3=CC=CO3)OC

DOS

IR

Vibrations