Geometry & MOs

Info

ID:	355695
PubChem CID:	127289676
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-41.45
Dipole, Da:	6.7
IP(EA), eV:	-9.53(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[[cyclopropyl(ethyl)amino]methyl]benzoyl]morpholine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1(CCCC2=CC=CC=C21)C(=O)N3CCOC(C3)C#N

DOS

IR

Vibrations