Geometry & MOs

Info

ID:	358320
PubChem CID:	127295865
Reduced:	N2O3C23H32 (1)
Stoich.:	A2B3C23D32 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-150.1
Dipole, Da:	4.3
IP(EA), eV:	-8.89(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilino-1-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)C3=C(C=C4CCCCC4=C3)O

DOS

IR

Vibrations