Geometry & MOs

Info

ID:	347179
PubChem CID:	127271720
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-8.1
Dipole, Da:	3.96
IP(EA), eV:	-9.17(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetyl-1,4-diazepan-1-yl)-2,2-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CN2CCN(CC2)C(=O)C3=CN(N=C3C4CCCCC4)C

DOS

IR

Vibrations