Geometry & MOs

Info

ID:	364410
PubChem CID:	127315649
Reduced:	ON3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	237.147727
ΔH_f, kcal/mol:	-44.76
Dipole, Da:	4.77
IP(EA), eV:	-8.31(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=C(N(C(=C2)C)C)C)C

DOS

IR

Vibrations