Geometry & MOs

Info

ID:	75116
PubChem CID:	48423014
Reduced:	NF2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-210.83
Dipole, Da:	2.79
IP(EA), eV:	-9.53(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethylamino)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1OC(F)F)NC(=O)C(C)OCC2CC2

DOS

IR

Vibrations