Geometry & MOs

Info

ID:	204799
PubChem CID:	80010048
Reduced:	SO2N3C13H21 (1)
Stoich.:	AB2C3D13E21 (1)
Weight, g/mol:	244.178693
ΔH_f, kcal/mol:	-87.21
Dipole, Da:	1.69
IP(EA), eV:	-9.2(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-yloxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(C)NC(=O)C2CCC(O2)CN

DOS

IR

Vibrations