Geometry & MOs

Info

ID:	349247
PubChem CID:	127274973
Reduced:	OSN5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	357.137179
ΔH_f, kcal/mol:	58.3
Dipole, Da:	5.3
IP(EA), eV:	-8.99(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC=CC3=C2NN=C3)CC4=CSC=N4

DOS

IR

Vibrations