Geometry & MOs

Info

ID:	360277
PubChem CID:	127300920
Reduced:	OSN7C17H19 (1)
Stoich.:	ABC7D17E19 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	75.59
Dipole, Da:	9.19
IP(EA), eV:	-9.55(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)phenyl]methyl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)CC3=CSC(=N3)C4=NC=CN=C4

DOS

IR

Vibrations