Geometry & MOs

Info

ID:	420270
PubChem CID:	135112164
Reduced:	NF2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	400.211055
ΔH_f, kcal/mol:	-233.9
Dipole, Da:	6.12
IP(EA), eV:	-9.58(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[2-(2-oxopiperidin-1-yl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]acetamide

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)C(=O)C3=CC=CC=C3OC(F)F)O

DOS

IR

Vibrations