Geometry & MOs

Info

ID:	208206
PubChem CID:	80503622
Reduced:	NSO3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	-83.9
Dipole, Da:	8.3
IP(EA), eV:	-9.1(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3-benzodioxol-5-ylmethyl)morpholin-2-yl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NC(=C(S2)C)C(=O)O

DOS

IR

Vibrations