Geometry & MOs

Info

ID:	364466
PubChem CID:	127315718
Reduced:	ClON3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-29.93
Dipole, Da:	5.18
IP(EA), eV:	-8.86(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC(=CN2C)Cl)C

DOS

IR

Vibrations