Geometry & MOs

Info

ID:	358501
PubChem CID:	127296097
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	376.227454
ΔH_f, kcal/mol:	-23.71
Dipole, Da:	4.64
IP(EA), eV:	-8.49(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-fluorobenzoyl)amino]ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=CC(=N2)CNC(=O)N3CCCCC(C3)N4CCCC4

DOS

IR

Vibrations