Geometry & MOs

Info

ID:	439328
PubChem CID:	135229099
Reduced:	NSC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	457.268905
ΔH_f, kcal/mol:	78.56
Dipole, Da:	1.99
IP(EA), eV:	-8.83(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-acetyl-N-[5-[(3,5-dimethyl-4-propylpyridin-2-yl)methoxy]-4-(1-hydroxypentan-2-ylamino)pyrimidin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C=S)(C1=CC=CC=C1)NCC2=CC=CC=C2

DOS

IR

Vibrations