Geometry & MOs

Info

ID:	346460
PubChem CID:	127270964
Reduced:	ClO2N3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	-61.02
Dipole, Da:	6.89
IP(EA), eV:	-8.66(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-4-(1,3-dihydro-2-benzofuran-5-carbonyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=CC=C2)C(=O)N3CCCN(CC3)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations