Geometry & MOs

Info

ID:	362606
PubChem CID:	127308377
Reduced:	FON3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	366.180424
ΔH_f, kcal/mol:	-74.24
Dipole, Da:	4.92
IP(EA), eV:	-8.73(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)N2CCN3CCCC3C2)F

DOS

IR

Vibrations