Geometry & MOs

Info

ID:	327583
PubChem CID:	126690413
Reduced:	NH13C14 (1)
Stoich.:	AB13C14 (1)
Weight, g/mol:	556.298431
ΔH_f, kcal/mol:	64.61
Dipole, Da:	1.62
IP(EA), eV:	-8.72(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[4-[4-(4-ethylpiperazin-1-yl)anilino]-7-methyl-6H-thieno[3,2-d]pyrimidin-7-yl]ethyl]-4-methylphenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC=CC=C2)N=C

DOS

IR

Vibrations