Geometry & MOs

Info

ID:	330633
PubChem CID:	127248040
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	359.19574
ΔH_f, kcal/mol:	-117.39
Dipole, Da:	6.06
IP(EA), eV:	-8.77(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzotriazol-1-yl)-1-[3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2CCC(C2)(CN3CCOCC3)O

DOS

IR

Vibrations