Geometry & MOs

Info

ID:	369036
PubChem CID:	127331155
Reduced:	ON6C19H34 (1)
Stoich.:	AB6C19D34 (1)
Weight, g/mol:	320.159689
ΔH_f, kcal/mol:	-26.05
Dipole, Da:	2.65
IP(EA), eV:	-8.68(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(N1CCN2CCN(CC2)C(=O)NCCN3C=C(C=N3)C)C

DOS

IR

Vibrations