Geometry & MOs

Info

ID:	44447
PubChem CID:	10503612
Reduced:	O2N3C27H49 (1)
Stoich.:	A2B3C27D49 (1)
Weight, g/mol:	447.382478
ΔH_f, kcal/mol:	-112.98
Dipole, Da:	4.89
IP(EA), eV:	-8.43(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylamino)-6-(hydroxymethyl)-N-octadecylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCC1=C[C@H]2CC[C@@H](ON2C(=N1)N)CC(=O)CCCCCCCCC

DOS

IR

Vibrations