Geometry & MOs

Info

ID:	423732
PubChem CID:	135120122
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	376.154683
ΔH_f, kcal/mol:	-111.45
Dipole, Da:	2.37
IP(EA), eV:	-8.89(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carbonyl]-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCC(=O)N2C[C@H]([C@H](C2)O)CC3=CC(=NO3)C)C

DOS

IR

Vibrations