Geometry & MOs

Info

ID:	439281
PubChem CID:	135229048
Reduced:	ON6C16H26 (1)
Stoich.:	AB6C16D26 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	9.84
Dipole, Da:	5.66
IP(EA), eV:	-8.35(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[2-ethenyl-5-[(1-methylindazol-3-yl)methoxy]pyrimidin-4-yl]amino]heptan-1-ol

Drug info:

PubChemData

Smile

CCCC(CC)NC1=NC(=NC=C1OCC2=NN(C(=C2)C)C)N

DOS

IR

Vibrations