Geometry & MOs

Info

ID:	360180
PubChem CID:	127300823
Reduced:	O2N6C17H30 (1)
Stoich.:	A2B6C17D30 (1)
Weight, g/mol:	380.278741
ΔH_f, kcal/mol:	-44.9
Dipole, Da:	4.56
IP(EA), eV:	-8.64(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[(4-propan-2-ylmorpholin-2-yl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)N1CCOC(C1)CN2CCN(CC2)C(=O)C(C)N3C=NC=N3

DOS

IR

Vibrations