Geometry & MOs

Info

ID:	370108
PubChem CID:	127337474
Reduced:	O2N7C16H23 (1)
Stoich.:	A2B7C16D23 (1)
Weight, g/mol:	380.278741
ΔH_f, kcal/mol:	4.01
Dipole, Da:	5.37
IP(EA), eV:	-9.34(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(cyclohexylamino)-3-oxopropyl]-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)CNC(=O)N2CCN(CC2)C3=NN4C=NN=C4C=C3

DOS

IR

Vibrations