Geometry & MOs

Info

ID:	439345
PubChem CID:	135229116
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-32.26
Dipole, Da:	3.13
IP(EA), eV:	-8.97(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-amino-5-[(Z)-3-(N-methylanilino)-2-(methylideneamino)prop-2-enoxy]pyrimidin-4-yl]amino]hexan-1-ol

Drug info:

PubChemData

Smile

CCCCC(CO)NC1=NC(=NC=C1OCC2=NC(=CC=C2)C(=C)C)C

DOS

IR

Vibrations