Geometry & MOs

Info

ID:	439260
PubChem CID:	135229027
Reduced:	NO2C29H37 (1)
Stoich.:	AB2C29D37 (1)
Weight, g/mol:	445.268905
ΔH_f, kcal/mol:	-56.2
Dipole, Da:	1.12
IP(EA), eV:	-7.57(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-acetyl-N-[4-(1-hydroxypentan-2-ylamino)-5-[2-[[(2Z)-2,3,4-trimethylpenta-2,4-dienylidene]amino]ethoxy]pyrimidin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)OCC(C)(C)C)C3=CC=C(C=C3)OCC(C)(C)C

DOS

IR

Vibrations