Geometry & MOs

Info

ID:	439275
PubChem CID:	135229042
Reduced:	ON2C10H16 (2)
Stoich.:	AB2C10D16 (2)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-65.52
Dipole, Da:	5.21
IP(EA), eV:	-8.98(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-ethenyl-5-[(4-methoxy-3,5-dimethylpyridin-2-yl)methoxy]pyrimidin-4-yl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

CCC[C@@H](CCO)NC1=NC(=NC=C1OCC2=NCC(C(=C2)C)C)CC

DOS

IR

Vibrations