Geometry & MOs

Info

ID:	349625
PubChem CID:	127275777
Reduced:	ClN3O3C19H28 (1)
Stoich.:	AB3C3D19E28 (1)
Weight, g/mol:	297.205242
ΔH_f, kcal/mol:	-126.18
Dipole, Da:	3.1
IP(EA), eV:	-8.88(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-(methylcarbamoyl)cyclohexyl]-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NCC(C2=CC=C(C=C2)Cl)N3CCOCC3

DOS

IR

Vibrations