Geometry & MOs

Info

ID:	355928
PubChem CID:	127290780
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	377.253923
ΔH_f, kcal/mol:	-37.48
Dipole, Da:	7.14
IP(EA), eV:	-9.1(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-4-yl]-3-(triazol-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations