Geometry & MOs

Info

ID:	364478
PubChem CID:	127315730
Reduced:	ON4C16H28 (1)
Stoich.:	AB4C16D28 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-30.58
Dipole, Da:	6.27
IP(EA), eV:	-8.45(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-4-(4,7-dimethyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=NN(C(=C2)C)C(C)(C)C)C

DOS

IR

Vibrations