Geometry & MOs

Info

ID:	249984
PubChem CID:	103093302
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	295.171834
ΔH_f, kcal/mol:	-7.54
Dipole, Da:	5.94
IP(EA), eV:	-9.12(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-methyl-4-(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C(=C/C1=CC(=C(C=C1)C(C)C)[N+](=O)[O-])/C

DOS

IR

Vibrations