Geometry & MOs

Info

ID:	421253
PubChem CID:	135115651
Reduced:	N5C16H23 (1)
Stoich.:	A5B16C23 (1)
Weight, g/mol:	348.241293
ΔH_f, kcal/mol:	57.22
Dipole, Da:	4.59
IP(EA), eV:	-8.91(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2-aminoethyl)morpholin-4-yl]-2-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

CN(CC1=CN=CN1C2CCCCC2)CC3=NC=CN=C3

DOS

IR

Vibrations