Geometry & MOs

Info

ID:	415718
PubChem CID:	135088718
Reduced:	FN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	367.212058
ΔH_f, kcal/mol:	-158.08
Dipole, Da:	5.69
IP(EA), eV:	-8.69(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN(C)CC2COCCO2)F

DOS

IR

Vibrations