Geometry & MOs

Info

ID:	419641
PubChem CID:	135108594
Reduced:	O6N7C28H39 (1)
Stoich.:	A6B7C28D39 (1)
Weight, g/mol:	377.150619
ΔH_f, kcal/mol:	-245.85
Dipole, Da:	5.62
IP(EA), eV:	-9.09(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azepan-1-yl-[5-(4-chlorophenyl)-3-(2-methoxyethylamino)-1,2-oxazol-4-yl]methanone

Drug info:

PubChemData

Smile

CC[C@H]1CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)C(=O)C3=CNC(=O)N3

DOS

IR

Vibrations