Geometry & MOs

Info

ID:	424966
PubChem CID:	135124618
Reduced:	SO3N6C30H38 (1)
Stoich.:	AB3C6D30E38 (1)
Weight, g/mol:	220.134241
ΔH_f, kcal/mol:	-24.21
Dipole, Da:	8.41
IP(EA), eV:	-8.89(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethyl-1-propyl-1,4-diazepan-2-one;hydrochloride

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=C(O1)N=CC=C2)CC3=C(C=CC(=C3)[C@@H](C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)N)C

DOS

IR

Vibrations