Geometry & MOs

Info

ID:	358453
PubChem CID:	127296049
Reduced:	ClO2N4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	390.243104
ΔH_f, kcal/mol:	-79.8
Dipole, Da:	4.14
IP(EA), eV:	-8.73(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCCNC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations