Geometry & MOs

Info

ID:	244593
PubChem CID:	99368093
Reduced:	BrN2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	468.230745
ΔH_f, kcal/mol:	-120.52
Dipole, Da:	4.68
IP(EA), eV:	-8.94(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-tert-butyl-4,5-dimethylthieno[2,3-d]pyrimidine-6-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC1=CC=CC=C1O)C(=O)CN2C(=O)COC3=C2C=CC(=C3)Br

DOS

IR

Vibrations