Geometry & MOs

Info

ID:	358520
PubChem CID:	127296116
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	390.243104
ΔH_f, kcal/mol:	-90.98
Dipole, Da:	5.05
IP(EA), eV:	-8.61(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)CNC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations