Geometry & MOs

Info

ID:	173486
PubChem CID:	75643755
Reduced:	O2N3C22H28 (1)
Stoich.:	A2B3C22D28 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	4.15
Dipole, Da:	4.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754243
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-2-(methoxymethyl)-5-methyl-3-phenyl-2,3,3a,4,5,6-hexahydro-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1C(C(=O)[NH+]2C(N1)C(C(N2)COC)C3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations