Geometry & MOs

Info

ID:	435676
PubChem CID:	135192139
Reduced:	SC21H24 (1)
Stoich.:	AB21C24 (1)
Weight, g/mol:	491.279744
ΔH_f, kcal/mol:	14.65
Dipole, Da:	1.91
IP(EA), eV:	-8.18(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,4-N-dimethyl-5-[1-[4-[1-[2-methylidene-1-[(1S)-1-pyridin-4-ylpropyl]pyridin-3-yl]ethenylamino]phenyl]ethenyl]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CCCC1=CC(=CC=C1)[C@@H]2C[C@@H](C3C2SC4=CC=CC=C34)C

DOS

IR

Vibrations