Geometry & MOs

Info

ID:	364506
PubChem CID:	127315758
Reduced:	OSN2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-37.0
Dipole, Da:	3.75
IP(EA), eV:	-8.68(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(3-methyl-1,2-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CSC3=C2CCCC3)C

DOS

IR

Vibrations