Geometry & MOs

Info

ID:	439379
PubChem CID:	135229152
Reduced:	N8O9C34H48 (1)
Stoich.:	A8B9C34D48 (1)
Weight, g/mol:	359.19574
ΔH_f, kcal/mol:	-252.25
Dipole, Da:	3.64
IP(EA), eV:	-8.93(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-(1-hydroxyhexan-2-ylamino)-2-methylpyrimidin-5-yl]oxymethyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CCC(=O)NCCOCCOCCOCCOCCOCCOCC#C)NC(=O)C1=CC=C(C=C1)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

DOS

IR

Vibrations