Geometry & MOs

Info

ID:	362363
PubChem CID:	127307454
Reduced:	O2N5C16H27 (1)
Stoich.:	A2B5C16D27 (1)
Weight, g/mol:	272.167083
ΔH_f, kcal/mol:	-35.81
Dipole, Da:	5.32
IP(EA), eV:	-8.44(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]thiomorpholine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C2CCCN2C(=O)NCC3CN(CCN3C)C

DOS

IR

Vibrations