Geometry & MOs

Info

ID:	362125
PubChem CID:	127305807
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	379.283492
ΔH_f, kcal/mol:	-28.88
Dipole, Da:	4.73
IP(EA), eV:	-9.32(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylmorpholin-4-yl)-3-methyl-1-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=CC=C2)CC(=O)N3CCCC(C3)C(=O)N4CCCC4

DOS

IR

Vibrations