Geometry & MOs

Info

ID:	351292
PubChem CID:	127280180
Reduced:	O3N5C21H29 (1)
Stoich.:	A3B5C21D29 (1)
Weight, g/mol:	399.238273
ΔH_f, kcal/mol:	-54.38
Dipole, Da:	7.56
IP(EA), eV:	-9.14(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-methyl-2-[4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C=C(C=N2)C(=O)N3CCN(CC3)CC(=O)N(C)C4CCCCC4

DOS

IR

Vibrations