Geometry & MOs

Info

ID:	441158
PubChem CID:	135233364
Reduced:	NC21H33 (1)
Stoich.:	AB21C33 (1)
Weight, g/mol:	455.326026
ΔH_f, kcal/mol:	2.33
Dipole, Da:	2.71
IP(EA), eV:	-8.11(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[5-(2,2-dimethylpropylamino)-6-(methylamino)pyridin-2-yl]-2,2-dimethylcyclohexyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C1=C(C=C(CC1=C)C(C)CC/C=C/NC(=C)C)C

DOS

IR

Vibrations