Geometry & MOs

Info

ID:	329916
PubChem CID:	127246783
Reduced:	O2N4C17H26 (1)
Stoich.:	A2B4C17D26 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	-56.64
Dipole, Da:	5.37
IP(EA), eV:	-8.39(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-1-[2-[2-(dimethylamino)pyridin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=C1)C2CCCN2C(=O)CN3CCOCC3

DOS

IR

Vibrations