Geometry & MOs

Info

ID:	179070
PubChem CID:	76429532
Reduced:	O3N4C21H24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	415.177503
ΔH_f, kcal/mol:	-78.73
Dipole, Da:	2.78
IP(EA), eV:	-8.98(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[1-(3-chlorophenyl)pyrazol-4-yl]methylamino]-3-(2-methylpropyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CN2CCN3C(C2)C(=O)NC(C3=O)CC4=CC=C(C=C4)O

DOS

IR

Vibrations