Geometry & MOs

Info

ID:	351448
PubChem CID:	127280336
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	394.294391
ΔH_f, kcal/mol:	-60.41
Dipole, Da:	7.66
IP(EA), eV:	-9.48(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=NOC2=N1)C(C)C)C(=O)N3CCN(CC3)C(=O)CN4CCCC4

DOS

IR

Vibrations