Geometry & MOs

Info

ID:	358279
PubChem CID:	127295824
Reduced:	O2N3C23H35 (1)
Stoich.:	A2B3C23D35 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-104.85
Dipole, Da:	4.7
IP(EA), eV:	-9.3(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(CC1=CC=CC=C1)NC(=O)N2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations