Geometry & MOs

Info

ID:	437874
PubChem CID:	135227213
Reduced:	SN4O4C25H42 (1)
Stoich.:	AB4C4D25E42 (1)
Weight, g/mol:	322.204513
ΔH_f, kcal/mol:	-177.28
Dipole, Da:	9.24
IP(EA), eV:	-9.65(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-tert-butyl-6-methylcyclohexa-1,3-dien-1-yl)ethoxy]quinazoline

Drug info:

PubChemData

Smile

CCCC1CCN(C1)S(=O)(=O)NC(=O)[C@]2(CC2C=C)NC(=O)[C@@H]3C[C@@]4(CCCCC4(C)C)CN3

DOS

IR

Vibrations