Geometry & MOs

Info

ID:	187511
PubChem CID:	77582776
Reduced:	F4O4N7C26H29 (1)
Stoich.:	A4B4C7D26E29 (1)
Weight, g/mol:	347.140055
ΔH_f, kcal/mol:	-192.74
Dipole, Da:	13.45
IP(EA), eV:	-9.1(-2.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-3-chloro-5-(cyclopropanecarbonyl)-2-methyl-1,2,3,3a,4,5-hexahydropyrazolo[1,5-c]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=C(N=[NH+]C(=O)C1=C)CC2=CC(=C(C=C2)F)C(=O)N3CCN4C(=NN=C4C(C)(C)N(C)C)C3.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations