Geometry & MOs

Info

ID:	354483
PubChem CID:	127287032
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-83.16
Dipole, Da:	5.88
IP(EA), eV:	-9.3(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-cyclohexyloxypyridin-4-yl)methyl]-4-cyclopropylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2CC1NC(=O)N3CCC(=O)NCC3

DOS

IR

Vibrations