Geometry & MOs

Info

ID:	358519
PubChem CID:	127296115
Reduced:	FON4C21H29 (1)
Stoich.:	ABC4D21E29 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	-65.08
Dipole, Da:	6.28
IP(EA), eV:	-8.64(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCCC3=CNC4=C3C=CC(=C4)F

DOS

IR

Vibrations