Geometry & MOs

Info

ID:	274219
PubChem CID:	103807814
Reduced:	N3O3C12H17 (1)
Stoich.:	A3B3C12D17 (1)
Weight, g/mol:	308.015304
ΔH_f, kcal/mol:	-108.82
Dipole, Da:	6.44
IP(EA), eV:	-9.18(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-aminoethyl)morpholin-4-yl]-(2,5-dichlorothiophen-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C1CN(CCO1)C(=O)C2=CC(=O)NC=C2)N

DOS

IR

Vibrations