Geometry & MOs

Info

ID:	289010
PubChem CID:	104331080
Reduced:	N2O2C17H28 (1)
Stoich.:	A2B2C17D28 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-114.37
Dipole, Da:	6.22
IP(EA), eV:	-8.44(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-methyl-4-(methylamino)benzoyl]morpholine-2-carbonitrile

Drug info:

PubChemData

Smile

CCCNC1=CC(=C(C=C1)C(=O)N(CC)CC(C)(C)O)C

DOS

IR

Vibrations