Geometry & MOs

Info

ID:	358508
PubChem CID:	127296104
Reduced:	FON5C21H28 (1)
Stoich.:	ABC5D21E28 (1)
Weight, g/mol:	399.243439
ΔH_f, kcal/mol:	-35.49
Dipole, Da:	6.67
IP(EA), eV:	-9.03(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCC3=CC(=C(C=C3)N4C=CN=C4)F

DOS

IR

Vibrations