Geometry & MOs

Info

ID:	363413
PubChem CID:	127311216
Reduced:	ON3C9H14 (2)
Stoich.:	AB3C9D14 (2)
Weight, g/mol:	388.216221
ΔH_f, kcal/mol:	-29.87
Dipole, Da:	2.87
IP(EA), eV:	-8.6(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(C)(C)CNC(=O)CN2C(=O)C3=CC=NN3C=N2)C

DOS

IR

Vibrations