Geometry & MOs

Info

ID:	349618
PubChem CID:	127275770
Reduced:	Cl2N2O3C17H22 (1)
Stoich.:	A2B2C3D17E22 (1)
Weight, g/mol:	375.215806
ΔH_f, kcal/mol:	-131.74
Dipole, Da:	4.37
IP(EA), eV:	-9.49(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

C1CCOC(C1)CNC(=O)N2CCOC(C2)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations