Geometry & MOs

Info

ID:	445962
PubChem CID:	135270065
Reduced:	N6C17H30 (1)
Stoich.:	A6B17C30 (1)
Weight, g/mol:	453.219846
ΔH_f, kcal/mol:	44.05
Dipole, Da:	5.2
IP(EA), eV:	-8.06(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[3-methyl-5-(2-methylcyclohexa-1,3-dien-1-yl)-2H-1,3,4-oxadiazol-2-yl]-3-(4-propan-2-ylsulfinylphenyl)-2H-pyrazin-6-amine

Drug info:

PubChemData

Smile

CCNCC1=CC=C(CC1)C2=NC(=C(N(C2)C)N)C(NC)NC

DOS

IR

Vibrations