Geometry & MOs

Info

ID:	347730
PubChem CID:	127272792
Reduced:	ON5C23H27 (1)
Stoich.:	AB5C23D27 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	14.16
Dipole, Da:	3.29
IP(EA), eV:	-8.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NCC2CCCN(C2)C3=C(C=C4CCCC4=N3)C#N

DOS

IR

Vibrations