Geometry & MOs

Info

ID:	130712
PubChem CID:	51094934
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	9.55
Dipole, Da:	7.19
IP(EA), eV:	-8.51(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C(=O)NCC2=NC(=NO2)C3CC3

DOS

IR

Vibrations