Geometry & MOs

Info

ID:	358274
PubChem CID:	127295819
Reduced:	FN2O4C17H23 (1)
Stoich.:	AB2C4D17E23 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-201.22
Dipole, Da:	3.62
IP(EA), eV:	-9.27(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCCOC1)C(=O)NCC2=CC(=CC3=C2OCOC3)F

DOS

IR

Vibrations