Geometry & MOs

Info

ID:	364520
PubChem CID:	127315772
Reduced:	OSN2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-22.06
Dipole, Da:	4.67
IP(EA), eV:	-8.17(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4,7-dimethyl-1,4-diazepane-1-carbonyl)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2CC3=CC=CC=C3S2)C

DOS

IR

Vibrations