Geometry & MOs

Info

ID:	70717
PubChem CID:	48413768
Reduced:	O2N3C20H21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	357.162332
ΔH_f, kcal/mol:	-9.54
Dipole, Da:	3.88
IP(EA), eV:	-8.99(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC2=CC=CC(=C2)C(=O)NCC3=C(NN=C3)C

DOS

IR

Vibrations