Geometry & MOs

Info

ID:	364525
PubChem CID:	127315777
Reduced:	ON2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-41.41
Dipole, Da:	5.1
IP(EA), eV:	-8.77(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(5-methylfuran-2-yl)methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations