Geometry & MOs

Info

ID:	289370
PubChem CID:	104347638
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	261.147727
ΔH_f, kcal/mol:	-113.81
Dipole, Da:	3.32
IP(EA), eV:	-8.26(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-amino-3-methylbenzoyl)pyrrolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(C1)C(=O)C2=C(C=CC(=C2)OC)N

DOS

IR

Vibrations