Geometry & MOs

Info

ID:	364428
PubChem CID:	127315680
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	263.109233
ΔH_f, kcal/mol:	-30.62
Dipole, Da:	5.79
IP(EA), eV:	-8.51(1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,7-dimethyl-1,4-diazepane-1-carbonyl)thiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C(C)C2=C(N(N=C2C)C)C)C

DOS

IR

Vibrations