Geometry & MOs

Info

ID:	59158
PubChem CID:	24771363
Reduced:	Cl2O2N3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	387.171355
ΔH_f, kcal/mol:	-25.21
Dipole, Da:	4.62
IP(EA), eV:	-9.05(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(4-chloro-3-methylphenoxy)pyridin-3-yl]-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC(C1)N2CCCN(CC2)C(=O)C3=CN=C(C=C3)OC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations