Geometry & MOs

Info

ID:	445866
PubChem CID:	135269828
Reduced:	N2O6C29H40 (1)
Stoich.:	A2B6C29D40 (1)
Weight, g/mol:	475.204196
ΔH_f, kcal/mol:	-259.94
Dipole, Da:	2.95
IP(EA), eV:	-8.48(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-methyl-3-[4-(methylaminomethyl)phenyl]-3H-1,2-oxazol-5-yl]-5-[4-(oxolan-3-ylsulfanyl)phenyl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CCC1CCC(CC1)COC(=O)NC2=CC(=C(C=C2)C)NC(=O)OC(COC)COC3=CC=C(C=C3)C

DOS

IR

Vibrations