Geometry & MOs

Info

ID:	306443
PubChem CID:	125011752
Reduced:	FO3N4C25H27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	450.206719
ΔH_f, kcal/mol:	-83.99
Dipole, Da:	3.75
IP(EA), eV:	-9.32(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4S)-1-[3-[(4-fluorophenyl)methoxy]benzoyl]azepan-4-yl]-N-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1=CN(N=C1)[C@@H]2CCCN(CC2)C(=O)C3=CC(=CC=C3)OCC4=CC=C(C=C4)F

DOS

IR

Vibrations