Geometry & MOs

Info

ID:	439330
PubChem CID:	135229101
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	362.195405
ΔH_f, kcal/mol:	-25.2
Dipole, Da:	4.22
IP(EA), eV:	-8.72(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[[(3S)-1-hydroxyhexan-3-yl]amino]-2-methylpyrimidin-5-yl]oxymethyl]-3-methoxy-1H-pyridin-4-one

Drug info:

PubChemData

Smile

C/C=C(\C(=NC)NC(=C)N)/OCCCC1=CC=C(C=C1)OC

DOS

IR

Vibrations