Geometry & MOs

Info

ID:	330496
PubChem CID:	127247903
Reduced:	ClFO2N3C15H19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	328.130218
ΔH_f, kcal/mol:	-116.1
Dipole, Da:	4.12
IP(EA), eV:	-9.07(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,4-dimethyl-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C(=O)C2=CC(=C(C=C2)F)Cl)C

DOS

IR

Vibrations