Geometry & MOs

Info

ID:	85792
PubChem CID:	49879162
Reduced:	BrOF2N5H16C23 (1)
Stoich.:	ABC2D5E16F23 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	17.21
Dipole, Da:	6.31
IP(EA), eV:	-8.88(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[cyclohexyl(methyl)amino]-5-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=N/N2C=C(N=C2NC(=O)NC3=C(C=C(C=C3)F)F)C4=CC=C(C=C4)Br

DOS

IR

Vibrations