Geometry & MOs

Info

ID:	362831
PubChem CID:	127309660
Reduced:	O2N5C17H29 (1)
Stoich.:	A2B5C17D29 (1)
Weight, g/mol:	366.208947
ΔH_f, kcal/mol:	-72.77
Dipole, Da:	3.57
IP(EA), eV:	-8.87(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-methyl-1-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)urea

Drug info:

PubChemData

Smile

COCCN1CCCC1CNC(=O)N2CCCC(C2)C3=NC=CN3

DOS

IR

Vibrations