Geometry & MOs

Info

ID:	367113
PubChem CID:	127323322
Reduced:	SN3O4C17H23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	389.279075
ΔH_f, kcal/mol:	-152.13
Dipole, Da:	2.82
IP(EA), eV:	-8.41(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1=O)NC(=O)NC2=CC3=C(C=C2SC)OCCO3

DOS

IR

Vibrations