Geometry & MOs

Info

ID:	439269
PubChem CID:	135229036
Reduced:	O5N6H26C29 (1)
Stoich.:	A5B6C26D29 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-56.68
Dipole, Da:	13.11
IP(EA), eV:	-8.87(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[[6-(1-hydroxyethenyl)pyridin-2-yl]methoxy]-2-methylpyrimidin-4-yl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC(=O)N2)NC(=O)NC3=CC=C(C4=CC=CC=C43)OC5=CC(=NC=C5)NC(=O)COC

DOS

IR

Vibrations