Geometry & MOs

Info

ID:	361432
PubChem CID:	127303411
Reduced:	O2N5C21H29 (1)
Stoich.:	A2B5C21D29 (1)
Weight, g/mol:	380.176979
ΔH_f, kcal/mol:	-49.64
Dipole, Da:	6.55
IP(EA), eV:	-8.56(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-3-(morpholin-4-ylmethyl)-N-propylbenzamide

Drug info:

PubChemData

Smile

C1CCOC(C1)CCC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

DOS

IR

Vibrations