Geometry & MOs

Info

ID:	349624
PubChem CID:	127275776
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	381.181919
ΔH_f, kcal/mol:	-124.84
Dipole, Da:	3.45
IP(EA), eV:	-8.69(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyl-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(C)CNC(=O)NCC2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations