Geometry & MOs

Info

ID:	354718
PubChem CID:	127287417
Reduced:	O2N5C21H39 (1)
Stoich.:	A2B5C21D39 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	-121.56
Dipole, Da:	4.11
IP(EA), eV:	-8.59(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(N1CCN2CCN(CC2)C(=O)NCC3CCN(CC3)C(=O)C)C

DOS

IR

Vibrations