Geometry & MOs

Info

ID:	369041
PubChem CID:	127331163
Reduced:	O2N8C15H20 (1)
Stoich.:	A2B8C15D20 (1)
Weight, g/mol:	348.190989
ΔH_f, kcal/mol:	4.83
Dipole, Da:	6.02
IP(EA), eV:	-8.82(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)NC(=O)NC3CCC4=NC=NN4C3

DOS

IR

Vibrations