Geometry & MOs

Info

ID:	308009
PubChem CID:	125311757
Reduced:	O2S2N4C19H26 (1)
Stoich.:	A2B2C4D19E26 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	-25.33
Dipole, Da:	3.27
IP(EA), eV:	-8.91(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (6R)-3-(3,4-dimethoxyphenyl)-2-ethyl-7-imino-6H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

C1CCC(C1)SCC(=O)N2CCC(CC2)C[C@H]3N=NC(=O)N3C4=CC=CS4

DOS

IR

Vibrations