Geometry & MOs

Info

ID:	439274
PubChem CID:	135229041
Reduced:	N5C18H27 (1)
Stoich.:	A5B18C27 (1)
Weight, g/mol:	360.252526
ΔH_f, kcal/mol:	37.91
Dipole, Da:	1.17
IP(EA), eV:	-8.63(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[[5-[(3,4-dimethyl-2,3-dihydropyridin-6-yl)methoxy]-2-ethylpyrimidin-4-yl]amino]hexan-1-ol

Drug info:

PubChemData

Smile

CCCC(CC)N(C)C1=NC(=NC=C1CCC2=CC=CC=N2)N

DOS

IR

Vibrations