Geometry & MOs

Info

ID:	364557
PubChem CID:	127315809
Reduced:	OF2N4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	315.20591
ΔH_f, kcal/mol:	-70.07
Dipole, Da:	2.44
IP(EA), eV:	-9.1(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-N-cyclopropyl-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=NC(=NC3=CC=CC=C32)C(F)F)C(=O)NC4CC4

DOS

IR

Vibrations