Geometry & MOs

Info

ID:	265681
PubChem CID:	103538454
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	298.10842
ΔH_f, kcal/mol:	-79.83
Dipole, Da:	4.69
IP(EA), eV:	-8.56(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-2-(methylamino)phenyl]-(3,4-dimethoxypyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CCCNC1=CC(=CC(=N1)CC)C(=O)N2CCC(C2)OC

DOS

IR

Vibrations