Geometry & MOs

Info

ID:	358509
PubChem CID:	127296105
Reduced:	FON5C22H30 (1)
Stoich.:	ABC5D22E30 (1)
Weight, g/mol:	388.247441
ΔH_f, kcal/mol:	-50.34
Dipole, Da:	7.03
IP(EA), eV:	-9.03(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-ethoxyanilino)-2-oxoethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=C(C=C(C=C2)CNC(=O)N3CCCCC(C3)N4CCCC4)F

DOS

IR

Vibrations