Geometry & MOs

Info

ID:	364492
PubChem CID:	127315744
Reduced:	FON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-68.69
Dipole, Da:	5.68
IP(EA), eV:	-8.99(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(5-methyl-1,3-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC(=CC=C2)F)C

DOS

IR

Vibrations