Geometry & MOs

Info

ID:	137791
PubChem CID:	52263509
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	-45.91
Dipole, Da:	4.78
IP(EA), eV:	-8.58(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NNC(=S)N2CCC(=O)NCC3=CC(=C(C=C3)O)OC

DOS

IR

Vibrations