Geometry & MOs

Info

ID:	170631
PubChem CID:	75261755
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	370.211724
ΔH_f, kcal/mol:	-117.35
Dipole, Da:	4.77
IP(EA), eV:	-8.68(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-methyl-N-[(6-oxo-2-pyridin-2-yl-1,3-diazinan-4-yl)methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCN1CC(C(C1)NC(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations