Geometry & MOs

Info

ID:	358179
PubChem CID:	127295724
Reduced:	FN3O3C21H30 (1)
Stoich.:	AB3C3D21E30 (1)
Weight, g/mol:	321.241627
ΔH_f, kcal/mol:	-172.29
Dipole, Da:	4.9
IP(EA), eV:	-9.14(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NCCOC3=CC(=CC=C3)F

DOS

IR

Vibrations