Geometry & MOs

Info

ID:	43881
PubChem CID:	10321925
Reduced:	SN4O4C23H30 (1)
Stoich.:	AB4C4D23E30 (1)
Weight, g/mol:	458.291786
ΔH_f, kcal/mol:	-52.62
Dipole, Da:	3.45
IP(EA), eV:	-8.84(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-cycloheptyl-6-N-(3-fluoro-4-methoxyphenyl)-2-N-methyl-2-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1C[C@H](COC2=CN=C(S2)C)O)CC3=CC(=NO3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations